MassBank Record: UT000220



 9,10-DiHOME; LC-ESI-QIT; MS2; CE:25 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000220
RECORD_TITLE: 9,10-DiHOME; LC-ESI-QIT; MS2; CE:25 V; [M-H]-
DATE: 2016.01.19 (Created 2007.10.19, modified 2012.05.21)
AUTHORS: Nakanishi H, Taguchi R, Graduate School of Medicine, The University of Tokyo.
LICENSE: CC BY-NC-SA

CH$NAME: 9,10-DiHOME CH$NAME: 9,10-dihydroxy-12Z-octadecenoic acid CH$NAME: (+-)9,10-DiHOME CH$COMPOUND_CLASS: Natural Product; Lipid; Fatty acid CH$FORMULA: C18H34O4 CH$EXACT_MASS: 314.24571 CH$SMILES: CCCCCC=CCC(O)C(O)CCCCCCCC(O)=O CH$IUPAC: InChI=1S/C18H34O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h7,10,16-17,19-20H,2-6,8-9,11-15H2,1H3,(H,21,22)/b10-7+ CH$LINK: CAS 263399-34-4 CH$LINK: CAYMAN 53400 CH$LINK: LIPIDBANK DFA8024
AC$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 25 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$SPLASH: splash10-03di-0049000000-1d9acdeca87439e56936 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 91.120 15000.0 1 155.040 12500.0 1 155.253 40000.0 2 157.200 12500.0 1 165.040 37500.0 2 165.200 22500.0 1 171.143 452500.0 19 171.680 32500.0 1 172.720 17500.0 1 183.255 125000.0 5 199.093 72500.0 3 199.360 20000.0 1 201.143 8432500.0 361 201.827 302500.0 13 202.080 50000.0 2 202.512 425000.0 18 203.330 107500.0 5 203.600 40000.0 2 203.954 60000.0 3 204.240 20000.0 1 205.120 12500.0 1 207.920 12500.0 1 222.960 40000.0 2 223.150 27500.0 1 277.224 1065000.0 46 277.840 12500.0 1 278.520 27500.0 1 295.259 1927500.0 83 296.610 35000.0 2 297.040 15000.0 1 311.234 95000.0 4 313.161 23305000.0 999 313.978 115000.0 5 314.520 32500.0 1 //