MassBank Record: UT000241



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

ACCESSION: UT000241
RECORD_TITLE: 9-HODE; LC-ESI-QIT; MS2; CE:40 V; [M-H]-
DATE: 2016.01.19 (Created 2007.10.19, modified 2011.08.03)
AUTHORS: Nakanishi H, Taguchi R, Graduate School of Medicine, The University of Tokyo.
LICENSE: CC BY-NC-SA

CH$NAME: 9-HODE CH$NAME: 9S-hydroxy-10E,12Z-octadecadienoic acid CH$NAME: (10E,12Z)-9-Hydroxy-10,12-octadecadienoic acid CH$NAME: 9(S)-HODE CH$NAME: (10E,12Z)-(9S)-9-Hydroxyoctadeca-10,12-dienoic acid CH$NAME: (9S)-Hydroxyoctadecadienoic acid CH$COMPOUND_CLASS: Natural Product; Lipid; Fatty acid CH$FORMULA: C18H32O3 CH$EXACT_MASS: 296.23514 CH$SMILES: CCCCCC=CC=CC(O)CCCCCCCC(O)=O CH$IUPAC: InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+ CH$LINK: CAS 73543-67-6 CH$LINK: CAYMAN 38410 CH$LINK: CHEBI 34496 CH$LINK: KEGG C14767 CH$LINK: LIPIDBANK DFA0376 CH$LINK: NIKKAJI J365.920H
AC$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$SPLASH: splash10-00b9-0790000000-d91ecec0a89e8187c941 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 123.200 5000.0 4 125.040 5000.0 4 127.120 12500.0 11 153.200 10000.0 9 171.052 1122500.0 997 185.200 12500.0 11 203.120 10000.0 9 219.040 7500.0 7 222.080 7500.0 7 222.240 10000.0 9 223.088 25000.0 22 223.280 5000.0 4 227.200 10000.0 9 233.040 5000.0 4 233.216 30000.0 27 251.040 7500.0 7 259.200 7500.0 7 265.040 7500.0 7 265.200 5000.0 4 275.168 27500.0 24 277.143 1125000.0 999 293.088 35000.0 31 295.146 165000.0 147 //