MassBank Record: UT000225



 9,10-DiHOME; LC-ESI-QIT; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000225
RECORD_TITLE: 9,10-DiHOME; LC-ESI-QIT; MS2; CE:50 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 50 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$SPLASH: splash10-0umi-0950000000-692dd4f4e4e822232b56 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 75.120 10000.0 27 90.880 7500.0 21 97.040 12500.0 34 123.040 7500.0 21 125.108 97500.0 267 127.090 135000.0 369 136.960 7500.0 21 137.120 10000.0 27 139.200 5000.0 14 148.960 7500.0 21 155.120 50000.0 137 165.020 20000.0 55 165.200 7500.0 21 171.051 317500.0 869 183.213 12500.0 34 199.015 47500.0 130 201.077 365000.0 999 206.960 12500.0 34 223.040 17500.0 48 264.960 5000.0 14 277.120 20000.0 55 //