MassBank Record: UT000227



 9,10-EODE; LC-ESI-QIT; MS2; CE:15 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000227
RECORD_TITLE: 9,10-EODE; LC-ESI-QIT; MS2; CE:15 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$MASS_SPECTROMETRY: COLLISION_ENERGY 15 V AC$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: splash10-0002-0090000000-88843e1abeeee2b1b2e6 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 153.224 27500.0 1 170.564 110000.0 3 171.234 4202500.0 99 171.897 75000.0 2 172.190 205000.0 5 172.400 300000.0 7 172.791 172500.0 4 173.034 115000.0 3 173.294 67500.0 2 173.600 132500.0 3 173.760 75000.0 2 174.320 30000.0 1 174.720 35000.0 1 177.320 35000.0 1 183.244 47500.0 1 233.368 375000.0 9 277.382 8512500.0 200 278.156 282500.0 7 278.544 455000.0 11 278.777 260000.0 6 278.960 80000.0 2 279.149 152500.0 4 279.455 57500.0 1 279.840 22500.0 1 280.000 30000.0 1 294.104 47500.0 1 295.161 42470000.0 999 295.906 532500.0 13 296.615 132500.0 3 //