MassBank Record: UT000228



 9,10-EODE; LC-ESI-QIT; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000228
RECORD_TITLE: 9,10-EODE; LC-ESI-QIT; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V AC$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: splash10-002b-0290000000-e877a105893043cd9fe2 PK$NUM_PEAK: 53 PK$PEAK: m/z int. rel.int. 153.251 70000.0 2 170.407 55000.0 2 170.741 322500.0 10 171.194 8557500.0 259 171.840 122500.0 4 172.282 1150000.0 35 172.940 455000.0 14 173.120 315000.0 10 173.461 247500.0 7 173.930 105000.0 3 174.360 160000.0 5 175.234 52500.0 2 175.716 45000.0 1 176.240 25000.0 1 177.200 20000.0 1 177.560 47500.0 1 177.893 17500.0 1 179.040 25000.0 1 179.342 57500.0 2 179.616 30000.0 1 180.189 37500.0 1 180.480 20000.0 1 181.360 45000.0 1 182.560 17500.0 1 183.180 287500.0 9 183.495 52500.0 2 185.040 17500.0 1 185.387 17500.0 1 223.280 17500.0 1 227.240 20000.0 1 233.381 480000.0 15 233.760 35000.0 1 234.267 17500.0 1 251.360 17500.0 1 259.360 20000.0 1 275.352 47500.0 1 277.316 17832500.0 540 278.061 1465000.0 44 278.380 1005000.0 30 278.677 602500.0 18 278.960 172500.0 5 279.520 32500.0 1 279.870 52500.0 2 280.080 77500.0 2 280.240 32500.0 1 280.400 32500.0 1 280.893 37500.0 1 293.337 75000.0 2 293.625 27500.0 1 294.382 25000.0 1 295.164 32975000.0 999 296.083 350000.0 11 296.640 45000.0 1 //