MassBank Record: UT000352



 PGF2a; LC-ESI-QIT; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000352
RECORD_TITLE: PGF2a; LC-ESI-QIT; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V AC$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: splash10-0udi-0009000000-22735dc8a840e539af0b PK$NUM_PEAK: 61 PK$PEAK: m/z int. rel.int. 153.200 20833.3 1 165.280 37500.0 1 165.440 29166.7 1 170.960 45833.3 1 171.200 66666.7 2 171.520 58333.3 2 172.400 25000.0 1 172.640 33333.3 1 173.233 208333.3 6 191.040 45833.3 1 191.440 54166.7 2 192.740 58333.3 2 193.286 325000.0 9 194.560 50000.0 1 195.280 20833.3 1 209.583 104166.7 3 210.880 20833.3 1 217.365 141666.7 4 217.667 20833.3 1 219.416 75000.0 2 221.120 141666.7 4 221.280 141666.7 4 221.520 25000.0 1 222.000 20833.3 1 235.442 237500.0 7 247.593 345833.3 10 254.400 25000.0 1 255.550 316666.7 9 256.160 20833.3 1 256.560 33333.3 1 263.560 41666.7 1 273.600 583333.3 16 273.840 37500.0 1 274.480 29166.7 1 274.720 25000.0 1 281.653 25000.0 1 290.960 91666.7 3 291.523 829166.7 23 292.080 20833.3 1 292.560 104166.7 3 292.880 25000.0 1 299.467 220833.3 6 299.920 29166.7 1 308.880 75000.0 2 309.554 2825000.0 80 310.218 125000.0 4 310.560 91666.7 3 310.856 70833.3 2 317.200 79166.7 2 317.568 516666.7 15 317.920 54166.7 2 318.240 20833.3 1 318.947 25000.0 1 328.853 29166.7 1 335.501 1066666.7 30 336.429 187500.0 5 353.142 35408333.3 999 354.006 891666.7 25 354.811 229166.7 6 355.065 75000.0 2 355.920 25000.0 1 //