MassBank Record: UT000229



 9,10-EODE; LC-ESI-QIT; MS2; CE:25 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000229
RECORD_TITLE: 9,10-EODE; LC-ESI-QIT; MS2; CE:25 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$NAME: 9,10-EODE CH$NAME: 9,10-epoxy-12Z-octadecenoic acid CH$NAME: (+-)9(10)-EpOME CH$COMPOUND_CLASS: Natural Product; Lipid; Fatty acid CH$FORMULA: C18H32O3 CH$EXACT_MASS: 296.23514 CH$SMILES: CCCCCC=CCC(O1)C(CCCCCCCC(O)=O)1 CH$IUPAC: InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7+ CH$LINK: CAYMAN 52400 CH$LINK: LIPIDBANK DFA8007
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$MASS_SPECTROMETRY: COLLISION_ENERGY 25 V AC$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: splash10-004j-0290000000-4ad7029c569521a62f31 PK$NUM_PEAK: 64 PK$PEAK: m/z int. rel.int. 97.100 12500.0 1 125.107 77500.0 3 139.120 15000.0 1 139.360 17500.0 1 141.200 30000.0 1 151.229 42500.0 2 152.960 117500.0 5 153.234 70000.0 3 155.210 25000.0 1 155.520 15000.0 1 169.600 17500.0 1 170.240 27500.0 1 171.169 10825000.0 466 171.837 135000.0 6 172.072 375000.0 16 172.340 660000.0 28 172.558 350000.0 15 172.805 125000.0 5 173.199 385000.0 17 173.760 50000.0 2 173.933 120000.0 5 174.297 25000.0 1 174.560 47500.0 2 174.807 132500.0 6 175.200 35000.0 2 175.360 60000.0 3 175.624 52500.0 2 176.120 12500.0 1 176.480 12500.0 1 176.880 30000.0 1 177.171 50000.0 2 178.053 27500.0 1 178.720 12500.0 1 179.440 17500.0 1 180.160 37500.0 2 181.360 15000.0 1 181.680 15000.0 1 183.191 647500.0 28 183.760 20000.0 1 184.320 12500.0 1 185.164 57500.0 2 187.360 12500.0 1 205.120 15000.0 1 221.280 15000.0 1 223.280 17500.0 1 227.208 35000.0 2 233.292 737500.0 32 234.880 15000.0 1 249.600 15000.0 1 251.354 227500.0 10 259.314 262500.0 11 267.347 40000.0 2 275.320 97500.0 4 277.230 23215000.0 999 277.945 1045000.0 45 278.254 887500.0 38 278.583 495000.0 21 278.800 257500.0 11 279.025 172500.0 7 279.200 105000.0 5 293.214 205000.0 9 295.158 18302500.0 788 295.980 60000.0 3 296.280 15000.0 1 //