MassBank Record: UT000238



 9-HODE; LC-ESI-QIT; MS2; CE:25 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000238
RECORD_TITLE: 9-HODE; LC-ESI-QIT; MS2; CE:25 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 25 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$SPLASH: splash10-002b-0190000000-1992dd3521a6570bc3f1 PK$NUM_PEAK: 63 PK$PEAK: m/z int. rel.int. 141.280 15000.0 1 153.120 52500.0 3 153.301 22500.0 1 170.320 22500.0 1 170.480 35000.0 2 171.152 6412500.0 354 171.687 372500.0 21 172.045 330000.0 18 172.320 110000.0 6 172.560 70000.0 4 172.720 35000.0 2 172.880 57500.0 3 173.051 195000.0 11 173.200 110000.0 6 173.457 45000.0 2 173.773 12500.0 1 173.920 17500.0 1 174.173 77500.0 4 174.492 37500.0 2 174.840 25000.0 1 175.120 12500.0 1 175.720 20000.0 1 176.000 10000.0 1 177.040 17500.0 1 177.760 12500.0 1 179.440 27500.0 2 180.160 10000.0 1 181.220 15000.0 1 181.520 17500.0 1 185.120 27500.0 2 185.440 12500.0 1 194.960 10000.0 1 195.360 12500.0 1 223.180 37500.0 2 227.200 40000.0 2 227.520 15000.0 1 233.273 580000.0 32 234.140 10000.0 1 238.103 25000.0 1 251.288 60000.0 3 251.520 17500.0 1 259.232 85000.0 5 275.107 22500.0 1 275.280 20000.0 1 277.235 16440000.0 909 277.964 810000.0 45 278.301 202500.0 11 278.594 470000.0 26 278.818 207500.0 11 279.053 97500.0 5 279.360 37500.0 2 279.520 10000.0 1 279.760 20000.0 1 280.320 10000.0 1 280.560 15000.0 1 293.040 37500.0 2 293.280 25000.0 1 293.560 15000.0 1 295.159 18077500.0 999 295.920 22500.0 1 296.064 22500.0 1 296.320 22500.0 1 296.507 10000.0 1 //