MassBank Record: UT000237



 9-HODE; LC-ESI-QIT; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000237
RECORD_TITLE: 9-HODE; LC-ESI-QIT; MS2; CE:20 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 20 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$SPLASH: splash10-0002-0090000000-99fb4c2c467f036308ff PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 170.640 37500.0 1 171.140 2950000.0 108 172.091 325000.0 12 173.030 32500.0 1 173.280 17500.0 1 173.618 57500.0 2 173.840 17500.0 1 174.320 25000.0 1 195.140 17500.0 1 227.232 40000.0 1 227.540 15000.0 1 233.280 230000.0 8 238.000 25000.0 1 277.289 7680000.0 281 277.957 495000.0 18 278.334 212500.0 8 278.560 210000.0 8 278.880 25000.0 1 279.050 100000.0 4 279.360 27500.0 1 295.156 27295000.0 999 295.978 35000.0 1 296.344 22500.0 1 296.592 52500.0 2 296.920 17500.0 1 //