pgf2- alpha

pgf2 alpha

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+ACCESSION: MSBNK-MIYAMOTOLAB_USP
+RECORD_TITLE: PGF2a; LC-ESI-QFT; MS2; CE: unknown; R=30.000; [M-H]-
+DATE: 2025.04.24
+AUTHORS: Julia Rosangela Sayuri MIYAMITOLAB_USP
+LICENSE: CC BY
+COPYRIGHT: Copyright (C) 2025, USP
+COMMENT: Sample acquired via negative mode ESI. Collision energy not specified. Precursor
+m/z 353.2. Retention time ~1.0 min.
+COMMENT: NATIVE_RUN_ID 2025.03.26_Julia_Rosangela_NEG_PGF2a.mzML
+COMMENT: PROCESSING Conversion to mzML using ProteoWizard
+CH$NAME: PGF2a
+CH$COMPOUND_CLASS: Lipid; Prostaglandin
+CH$FORMULA: C20H34O5
+CH$EXACT_MASS: 354.24023
+CH$SMILES: CC(=CCC1C(C(CC1CCC(=O)O)O)CCC=C(C)C)O
+CH$IUPAC: InChI=1S/C20H34O5/c1-14(2)7-6-8-15-9-10-16(19(22)23)11-12-17(15)13-
+18(21)20(24)25/h6,8,15-18H,1,7,9-13H2,2-5H3,(H,22,23)(H,24,25)
+CH$LINK: PUBCHEM CID:5280360
+CH$LINK: INCHIKEY: PXGPLTODNUVGFL-YNNPMVKQSA-N
+AC$INSTRUMENT: Q-Exactive HF, Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY unknown
+AC$MASS_SPECTROMETRY: RESOLUTION 30.000
+MS$FOCUSED_ION: BASE_PEAK 353.2427
+MS$FOCUSED_ION: PRECURSOR_M/Z 353.2
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0002-0900000000-05f3d1d532c7ea5fc3c1
+PK$ANNOTATION: m/z annotation exact_mass error(ppm)
+
+235.14 fragment - -
+309.21 fragment - -
+353.24 precursor 353.2427 0.000
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+235.14 5000 13
+309.21 8000 22
+353.24 36963 100
+//