MassBank Record: UT000356



 PGF2a; LC-ESI-QIT; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000356
RECORD_TITLE: PGF2a; LC-ESI-QIT; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V AC$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: splash10-0006-0981000000-030b6c3687c86e40f7b8 PK$NUM_PEAK: 62 PK$PEAK: m/z int. rel.int. 81.040 8333.3 3 82.880 8333.3 3 83.120 20833.3 8 96.880 8333.3 3 97.040 12500.0 5 111.017 70833.3 27 113.120 25000.0 9 137.040 16666.7 6 137.200 8333.3 3 139.120 8333.3 3 139.360 12500.0 5 147.120 50000.0 19 149.100 16666.7 6 151.200 25000.0 9 163.120 70833.3 27 165.128 641666.7 242 167.200 70833.3 27 171.081 529166.7 199 173.080 195833.3 74 175.176 29166.7 11 179.120 29166.7 11 180.080 41666.7 16 180.320 25000.0 9 181.154 358333.3 135 183.200 20833.3 8 189.147 20833.3 8 191.191 200000.0 75 193.117 2650000.0 999 193.440 54166.7 20 201.150 20833.3 8 205.040 41666.7 16 207.200 29166.7 11 209.092 237500.0 90 211.120 62500.0 24 215.040 8333.3 3 217.112 141666.7 53 219.149 216666.7 82 221.040 16666.7 6 228.880 12500.0 5 229.160 266666.7 101 235.040 8333.3 3 235.280 16666.7 6 237.280 33333.3 13 238.080 12500.0 5 245.120 70833.3 27 247.147 1337500.0 504 255.144 262500.0 99 261.160 41666.7 16 263.151 375000.0 141 263.360 58333.3 22 265.133 29166.7 11 273.159 362500.0 137 273.440 12500.0 5 279.120 16666.7 6 281.167 229166.7 86 289.200 8333.3 3 291.140 745833.3 281 299.120 100000.0 38 309.136 545833.3 206 317.120 25000.0 9 335.040 12500.0 5 353.065 62500.0 24 //