MassBank Record: UT000358



 PGF2a; LC-ESI-QIT; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000358
RECORD_TITLE: PGF2a; LC-ESI-QIT; MS2; CE:50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V AC$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-0940000000-6ab55a1dfaa5f85d6e60 PK$NUM_PEAK: 52 PK$PEAK: m/z int. rel.int. 79.520 12500.0 14 83.093 25000.0 28 99.200 20833.3 23 109.120 8333.3 9 110.880 25000.0 28 112.960 8333.3 9 113.200 16666.7 19 115.120 8333.3 9 118.880 8333.3 9 119.120 25000.0 28 120.960 12500.0 14 122.960 16666.7 19 125.240 12500.0 14 141.120 16666.7 19 145.000 25000.0 28 147.120 62500.0 69 149.063 25000.0 28 163.070 62500.0 69 165.124 345833.3 384 167.040 12500.0 14 167.200 33333.3 37 171.120 29166.7 32 173.040 29166.7 32 173.280 12500.0 14 175.120 54166.7 60 176.320 8333.3 9 177.040 25000.0 28 179.040 20833.3 23 179.220 12500.0 14 180.080 8333.3 9 181.040 29166.7 32 187.040 12500.0 14 191.120 25000.0 28 193.107 900000.0 999 201.120 20833.3 23 205.088 37500.0 42 211.040 25000.0 28 213.120 12500.0 14 217.200 16666.7 19 219.175 133333.3 148 229.156 141666.7 157 245.171 66666.7 74 247.165 237500.0 264 247.520 12500.0 14 254.960 16666.7 19 255.120 20833.3 23 263.176 141666.7 157 273.200 20833.3 23 279.120 8333.3 9 291.040 12500.0 14 291.200 8333.3 9 309.200 12500.0 14 //