MassBank Record: UT000232



 9,10-EODE; LC-ESI-QIT; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000232
RECORD_TITLE: 9,10-EODE; LC-ESI-QIT; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V AC$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: splash10-00fr-0950000000-7d5902f3ba7712883d20 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 95.040 7500.0 7 124.960 12500.0 12 127.040 10000.0 9 127.280 5000.0 5 150.880 7500.0 7 151.160 10000.0 9 153.120 37500.0 35 155.120 12500.0 12 170.640 12500.0 12 171.077 1080000.0 999 183.056 185000.0 171 185.040 7500.0 7 187.040 5000.0 5 219.040 7500.0 7 221.040 10000.0 9 222.144 27500.0 25 223.200 12500.0 12 233.120 10000.0 9 241.120 5000.0 5 257.120 5000.0 5 259.200 35000.0 32 277.143 610000.0 564 277.440 47500.0 44 293.120 5000.0 5 295.075 47500.0 44 //