MassBank Record: UT000359



 PGF2a; LC-ESI-QIT; MS2; CE:55 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000359
RECORD_TITLE: PGF2a; LC-ESI-QIT; MS2; CE:55 V; [M-H]-
DATE: 2016.01.19 (Created 2007.10.19, modified 2011.08.03)
AUTHORS: Nakanishi H, Taguchi R, Graduate School of Medicine, The University of Tokyo.
LICENSE: CC BY-NC-SA

CH$NAME: PGF2a CH$NAME: 7-[3R,5S-dihydroxy-2R-(3S-hydroxy-1E-octenyl)cyclopentan-1R-yl]-5Z-heptenoic acid CH$NAME: (5Z,13E,15S)-9alpha,11alpha,15-Trihydroxyprosta-5,13-diene-1-oic acid CH$NAME: PGF2alpha CH$NAME: (+)-Prostaglandin F2a CH$NAME: (5Z,13E)-(15S)-9alpha,11alpha,15-Trihydroxyprosta-5,13-dienoate CH$NAME: 7-[3,5-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]-5-heptenoic CH$NAME: 9,11,15-Trihydroxy-(5Z,9a,11a,13E,15S)-prosta-5,13-dien-1-oic acid CH$NAME: 9a,11a-PGF2 CH$NAME: Amoglandin CH$NAME: Cyclosin CH$NAME: Dinoprost CH$NAME: Enzaprost CH$NAME: Enzaprost F CH$NAME: Panacelan CH$NAME: Prostaglandin F2a CH$NAME: Prostaglandin F2alpha CH$NAME: Prostin F 2 alpha CH$NAME: Protamodin CH$NAME: U 14583 CH$COMPOUND_CLASS: Natural Product; Lipid; Eicosanoid CH$FORMULA: C20H34O5 CH$EXACT_MASS: 354.24062 CH$SMILES: CCCCCC(O)C=CC(C(O)1)C(CC=CCCCC(O)=O)C(O)C1 CH$IUPAC: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,18+,19-/m0/s1 CH$LINK: CAS 551-11-1 CH$LINK: CAYMAN 16010 CH$LINK: CHEBI 15553 CH$LINK: KEGG C00639 CH$LINK: LIPIDBANK XPR1501 CH$LINK: NIKKAJI J9.246K CH$LINK: PUBCHEM 3912
AC$INSTRUMENT: 4000Q TRAP, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QIT AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 55 V AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$DATA_PROCESSING: IGNORE rel.val. < 0.5 MS$DATA_PROCESSING: WHOLE Analyst 1.4.2
PK$SPLASH: splash10-00kf-1920000000-4545c96ba472f3207fa6 PK$NUM_PEAK: 46 PK$PEAK: m/z int. rel.int. 70.880 8333.3 17 80.800 16666.7 33 81.040 12500.0 25 83.067 87500.0 175 93.120 20833.3 42 97.040 12500.0 25 97.200 8333.3 17 109.120 33333.3 67 111.120 20833.3 42 112.987 29166.7 58 113.200 12500.0 25 119.200 25000.0 50 123.040 16666.7 33 125.120 20833.3 42 135.040 8333.3 17 135.280 8333.3 17 147.086 62500.0 125 149.280 20833.3 42 159.120 8333.3 17 161.040 25000.0 50 162.880 8333.3 17 163.200 29166.7 58 165.147 337500.0 674 170.990 20833.3 42 171.120 20833.3 42 173.060 66666.7 133 175.120 29166.7 58 177.200 20833.3 42 180.000 8333.3 17 181.200 25000.0 50 187.040 16666.7 33 189.120 16666.7 33 191.080 33333.3 67 193.077 500000.0 999 201.130 50000.0 100 211.040 25000.0 50 219.128 66666.7 133 227.200 8333.3 17 229.147 66666.7 133 229.360 16666.7 33 243.120 12500.0 25 245.120 12500.0 25 247.072 66666.7 133 247.200 25000.0 50 263.040 12500.0 25 263.200 16666.7 33 //