MassBank Record: UT000188



 5-OxoETE; LC-ESI-QIT; MS2; CE:45 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000188
RECORD_TITLE: 5-OxoETE; LC-ESI-QIT; MS2; CE:45 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$NAME: 5-OxoETE CH$NAME: 5-oxo-6E,8Z,11Z,14Z-eicosatetraenoic acid CH$NAME: 5-KETE CH$COMPOUND_CLASS: Natural Product; Lipid; Fatty acid CH$FORMULA: C20H30O3 CH$EXACT_MASS: 318.21949 CH$SMILES: CCCCCC=CCC=CCC=CC=CC(=O)CCCC(O)=O CH$IUPAC: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+ CH$LINK: CAS 106154-18-1 CH$LINK: CAYMAN 34250 CH$LINK: LIPIDBANK DFA8156
AC$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 45 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$SPLASH: splash10-0udi-0493000000-6710e8cf7a82b74bf8e9 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 69.440 6250.0 43 109.027 31250.0 217 133.040 15625.0 109 141.200 6250.0 43 160.960 12500.0 87 174.960 12500.0 87 175.200 6250.0 43 203.139 143750.0 999 245.120 15625.0 109 284.800 12500.0 87 317.200 65625.0 456 //