MassBank Record: UT000231



 9,10-EODE; LC-ESI-QIT; MS2; CE:35 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000231
RECORD_TITLE: 9,10-EODE; LC-ESI-QIT; MS2; CE:35 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$MASS_SPECTROMETRY: COLLISION_ENERGY 35 V AC$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: splash10-00b9-0590000000-856d1850ada270751471 PK$NUM_PEAK: 51 PK$PEAK: m/z int. rel.int. 96.960 15000.0 3 111.200 5000.0 1 122.940 7500.0 2 123.200 5000.0 1 125.083 75000.0 16 127.064 20000.0 4 139.120 10000.0 2 139.360 5000.0 1 140.960 7500.0 2 141.120 20000.0 4 150.960 10000.0 2 151.120 25000.0 5 153.064 92500.0 20 153.360 5000.0 1 155.048 57500.0 12 165.200 5000.0 1 167.120 7500.0 2 170.560 15000.0 3 171.089 3037500.0 641 171.840 5000.0 1 172.080 10000.0 2 172.480 7500.0 2 183.112 430000.0 91 185.040 35000.0 7 190.880 5000.0 1 205.173 40000.0 8 213.200 10000.0 2 217.280 7500.0 2 219.120 7500.0 2 220.080 5000.0 1 221.040 17500.0 4 222.227 12500.0 3 223.120 17500.0 4 227.120 17500.0 4 227.280 10000.0 2 233.181 132500.0 28 238.160 7500.0 2 241.280 7500.0 2 251.120 20000.0 4 251.360 12500.0 3 257.200 15000.0 3 258.960 15000.0 3 259.242 112500.0 24 265.200 7500.0 2 267.227 10000.0 2 275.173 75000.0 16 277.155 4735000.0 999 277.840 7500.0 2 278.320 10000.0 2 293.230 87500.0 18 295.164 797500.0 168 //