MassBank Record: UT000230



 9,10-EODE; LC-ESI-QIT; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000230
RECORD_TITLE: 9,10-EODE; LC-ESI-QIT; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V AC$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: splash10-004i-0390000000-d3beda7e0cd3033887e7 PK$NUM_PEAK: 56 PK$PEAK: m/z int. rel.int. 125.123 97500.0 6 127.040 17500.0 1 139.040 10000.0 1 139.200 20000.0 1 141.200 22500.0 1 141.360 12500.0 1 151.168 60000.0 4 152.880 17500.0 1 153.142 82500.0 5 153.440 10000.0 1 155.131 87500.0 6 163.120 10000.0 1 165.040 27500.0 2 165.200 10000.0 1 167.200 15000.0 1 170.400 10000.0 1 171.120 6917500.0 451 172.000 287500.0 19 172.240 200000.0 13 172.466 200000.0 13 172.990 137500.0 9 173.920 55000.0 4 174.240 30000.0 2 174.800 10000.0 1 175.200 10000.0 1 175.840 10000.0 1 183.103 787500.0 51 183.840 20000.0 1 184.000 17500.0 1 184.240 12500.0 1 185.125 170000.0 11 197.167 35000.0 2 205.248 15000.0 1 205.440 12500.0 1 219.120 12500.0 1 222.240 17500.0 1 223.140 40000.0 3 227.344 20000.0 1 231.360 10000.0 1 233.229 447500.0 29 238.080 15000.0 1 241.120 20000.0 1 249.360 12500.0 1 251.319 147500.0 10 259.198 312500.0 20 259.520 17500.0 1 267.322 55000.0 4 275.191 147500.0 10 277.173 15315000.0 999 277.929 52500.0 3 278.160 22500.0 1 278.540 15000.0 1 293.147 240000.0 16 295.164 5312500.0 347 295.840 12500.0 1 296.400 17500.0 1 //