MassBank Record: UT000221



 9,10-DiHOME; LC-ESI-QIT; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000221
RECORD_TITLE: 9,10-DiHOME; LC-ESI-QIT; MS2; CE:30 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 30 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$SPLASH: splash10-0w29-0194000000-42d4a62f1bd0b85ad15f PK$NUM_PEAK: 46 PK$PEAK: m/z int. rel.int. 91.088 15000.0 1 98.960 10000.0 1 125.120 45000.0 3 127.120 75000.0 6 139.040 20000.0 2 141.120 7500.0 1 153.040 20000.0 2 155.153 187500.0 14 155.520 7500.0 1 157.107 22500.0 2 165.184 280000.0 21 166.000 10000.0 1 171.130 1085000.0 82 172.013 12500.0 1 172.240 15000.0 1 172.720 20000.0 2 172.940 20000.0 2 173.920 10000.0 1 181.160 20000.0 2 183.139 367500.0 28 183.440 17500.0 1 195.200 12500.0 1 199.104 365000.0 28 200.160 15000.0 1 200.320 7500.0 1 200.533 12500.0 1 201.112 13245000.0 999 201.753 192500.0 15 202.000 110000.0 8 202.320 32500.0 2 202.800 17500.0 1 203.440 7500.0 1 203.840 10000.0 1 223.025 42500.0 3 233.212 20000.0 2 259.200 12500.0 1 277.196 2210000.0 167 277.907 17500.0 1 292.960 7500.0 1 295.189 2117500.0 160 296.160 17500.0 1 297.040 7500.0 1 311.211 145000.0 11 313.172 9857500.0 743 314.000 35000.0 3 314.320 10000.0 1 //