MassBank Record: UT000223



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

ACCESSION: UT000223
RECORD_TITLE: 9,10-DiHOME; LC-ESI-QIT; MS2; CE:40 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 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$SPLASH: splash10-0udi-0490000000-5c7529e26b7379daa0fc PK$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 74.880 15000.0 3 91.040 20000.0 4 97.080 5000.0 1 123.000 20000.0 4 125.088 225000.0 49 125.440 5000.0 1 127.105 230000.0 50 137.040 22500.0 5 139.070 22500.0 5 143.120 15000.0 3 146.800 7500.0 2 147.040 15000.0 3 153.025 37500.0 8 155.090 197500.0 43 157.120 32500.0 7 165.071 325000.0 71 171.075 772500.0 168 173.120 20000.0 4 183.105 202500.0 44 199.110 277500.0 60 200.080 5000.0 1 201.071 4602500.0 999 201.780 7500.0 2 223.040 25000.0 5 233.187 30000.0 7 265.120 5000.0 1 277.167 575000.0 125 293.120 5000.0 1 295.165 132500.0 29 311.000 10000.0 2 311.280 7500.0 2 312.880 5000.0 1 313.164 197500.0 43 //