MassBank Record: UT000360



 PGF2a; LC-ESI-QIT; MS2; CE:60 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000360
RECORD_TITLE: PGF2a; LC-ESI-QIT; MS2; CE:60 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$MASS_SPECTROMETRY: COLLISION_ENERGY 60 V AC$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: splash10-014i-0910000000-b7ddafa2875b39a1d088 PK$NUM_PEAK: 44 PK$PEAK: m/z int. rel.int. 70.800 16666.7 46 81.080 16666.7 46 82.800 12500.0 35 90.800 12500.0 35 92.880 12500.0 35 93.040 16666.7 46 107.040 8333.3 23 110.960 12500.0 35 112.960 16666.7 46 113.120 12500.0 35 117.040 16666.7 46 119.058 95833.3 267 120.000 8333.3 23 122.960 12500.0 35 137.280 8333.3 23 139.120 12500.0 35 144.080 12500.0 35 145.120 20833.3 58 147.069 58333.3 163 148.240 8333.3 23 149.200 8333.3 23 151.120 20833.3 58 155.040 12500.0 35 161.040 33333.3 93 163.040 79166.7 221 165.091 358333.3 999 170.960 20833.3 58 173.040 16666.7 46 175.072 25000.0 70 181.120 12500.0 35 189.120 20833.3 58 191.120 29166.7 81 192.880 50000.0 139 193.101 187500.0 523 201.040 41666.7 116 201.173 41666.7 116 219.040 41666.7 116 224.960 8333.3 23 227.040 8333.3 23 229.120 8333.3 23 229.280 16666.7 46 245.040 29166.7 81 247.093 16666.7 46 263.120 8333.3 23 //