MassBank Record: UT000222



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

ACCESSION: UT000222
RECORD_TITLE: 9,10-DiHOME; LC-ESI-QIT; MS2; CE:35 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 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$SPLASH: splash10-0udi-0291000000-512176d5b5bef61ddbf1 PK$NUM_PEAK: 44 PK$PEAK: m/z int. rel.int. 90.960 17500.0 2 97.120 10000.0 1 122.960 5000.0 1 124.800 17500.0 2 125.056 172500.0 18 127.120 172500.0 18 137.200 27500.0 3 139.120 15000.0 2 139.280 5000.0 1 141.120 7500.0 1 142.960 10000.0 1 143.120 10000.0 1 147.120 7500.0 1 153.040 15000.0 2 155.093 265000.0 27 156.960 7500.0 1 157.200 25000.0 3 165.124 420000.0 43 166.400 7500.0 1 170.800 27500.0 3 171.108 1030000.0 105 171.776 25000.0 3 172.160 15000.0 2 173.280 17500.0 2 183.110 312500.0 32 183.360 22500.0 2 194.960 7500.0 1 199.120 382500.0 39 200.400 5000.0 1 201.092 9775000.0 999 202.080 25000.0 3 202.480 20000.0 2 202.720 7500.0 1 222.977 57500.0 6 233.200 20000.0 2 233.360 7500.0 1 251.227 17500.0 2 259.120 12500.0 1 277.170 1560000.0 159 278.160 5000.0 1 293.090 17500.0 2 295.169 832500.0 85 311.107 45000.0 5 313.155 1717500.0 176 //