MassBank Record: UT000355



 PGF2a; LC-ESI-QIT; MS2; CE:35 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000355
RECORD_TITLE: PGF2a; LC-ESI-QIT; MS2; CE:35 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$MASS_SPECTROMETRY: COLLISION_ENERGY 35 V AC$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: splash10-0006-0793000000-62c02d4668e53e6e925b PK$NUM_PEAK: 131 PK$PEAK: m/z int. rel.int. 71.120 8333.3 1 83.040 8333.3 1 83.240 8333.3 1 97.120 25000.0 4 98.960 8333.3 1 109.280 12500.0 2 110.800 37500.0 6 111.051 350000.0 53 111.440 12500.0 2 113.150 29166.7 4 119.040 8333.3 1 119.280 12500.0 2 123.040 12500.0 2 125.200 16666.7 3 127.147 20833.3 3 137.360 8333.3 1 139.120 20833.3 3 144.960 20833.3 3 147.143 100000.0 15 149.100 12500.0 2 149.360 20833.3 3 150.960 12500.0 2 151.200 16666.7 3 153.120 33333.3 5 153.360 12500.0 2 155.120 12500.0 2 159.120 20833.3 3 161.040 12500.0 2 162.320 8333.3 1 163.139 133333.3 20 164.640 12500.0 2 165.151 1666666.7 250 165.744 25000.0 4 166.213 41666.7 6 166.400 50000.0 8 167.192 150000.0 23 171.136 1470833.3 221 171.760 25000.0 4 172.060 12500.0 2 172.387 29166.7 4 173.192 483333.3 73 173.760 12500.0 2 174.320 16666.7 3 174.800 16666.7 3 175.187 154166.7 23 177.040 12500.0 2 177.200 33333.3 5 179.223 33333.3 5 180.187 50000.0 8 181.181 654166.7 98 182.160 12500.0 2 183.140 58333.3 9 184.880 16666.7 3 185.167 158333.3 24 185.440 25000.0 4 187.300 12500.0 2 187.440 20833.3 3 189.120 29166.7 4 191.140 895833.3 135 193.167 6650000.0 999 193.778 150000.0 23 194.060 41666.7 6 194.313 45833.3 7 194.504 50000.0 8 195.200 50000.0 8 195.840 20833.3 3 196.080 12500.0 2 197.133 25000.0 4 199.200 75000.0 11 201.145 133333.3 20 201.520 12500.0 2 203.040 8333.3 1 205.200 108333.3 16 207.040 25000.0 4 207.264 25000.0 4 209.146 820833.3 123 210.160 16666.7 3 211.182 362500.0 54 211.520 8333.3 1 212.080 8333.3 1 217.146 350000.0 53 217.360 50000.0 8 219.218 537500.0 81 220.800 12500.0 2 221.196 262500.0 39 227.250 45833.3 7 228.960 66666.7 10 229.221 608333.3 91 230.320 12500.0 2 231.120 20833.3 3 231.360 16666.7 3 233.120 20833.3 3 235.170 341666.7 51 235.880 8333.3 1 237.200 116666.7 18 237.440 16666.7 3 238.050 45833.3 7 238.320 16666.7 3 245.151 191666.7 29 247.239 3587500.0 539 247.872 25000.0 4 248.080 25000.0 4 248.220 50000.0 8 253.200 20833.3 3 255.186 804166.7 121 255.840 12500.0 2 257.200 12500.0 2 261.250 66666.7 10 263.223 1220833.3 183 264.160 12500.0 2 265.213 233333.3 35 271.040 16666.7 3 273.185 1666666.7 250 273.840 12500.0 2 274.000 8333.3 1 274.480 20833.3 3 275.120 16666.7 3 279.200 58333.3 9 281.209 645833.3 97 289.190 179166.7 27 289.520 16666.7 3 291.165 4175000.0 627 291.920 25000.0 4 299.167 687500.0 103 299.500 12500.0 2 307.200 20833.3 3 309.139 4862500.0 730 309.840 20833.3 3 317.166 512500.0 77 335.184 437500.0 66 353.144 2083333.3 313 //