MassBank Record: UT000122



 15-OxoETE; LC-ESI-QIT; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: UT000122
RECORD_TITLE: 15-OxoETE; 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$NAME: 15-OxoETE CH$NAME: 15-oxo-5Z,8Z,11Z,13E-eicosatetraenoic acid CH$NAME: 15-KETE CH$NAME: (5Z,8Z,11Z,13E)-15-Oxoicosa-5,8,11,13-tetraenoic acid CH$NAME: 15-Oxo-5,8,11-cis-13-trans-eicosatetraenoate CH$NAME: 15-Oxo-5,8,11-cis-13-trans-icosatetraenoate CH$COMPOUND_CLASS: Natural Product; Lipid; Fatty acid CH$FORMULA: C20H30O3 CH$EXACT_MASS: 318.21949 CH$SMILES: CCCCCC(=O)C=CC=CCC=CCC=CCCCC(O)=O CH$IUPAC: InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+ CH$LINK: CAS 81416-72-0 CH$LINK: CAYMAN 34730 CH$LINK: CHEBI 15559 CH$LINK: KEGG C04577 CH$LINK: LIPIDBANK DFA8158 CH$LINK: PUBCHEM 7178
AC$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$SPLASH: splash10-02ti-0900000000-13e1f7d679e949631c34 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 96.980 50000.0 146 113.138 233333.3 682 139.145 237500.0 694 147.080 25000.0 73 148.960 12500.0 37 151.040 29166.7 85 158.880 12500.0 37 165.108 341666.7 999 189.120 70833.3 207 191.120 104166.7 305 201.260 12500.0 37 217.040 12500.0 37 219.040 8333.3 24 219.280 12500.0 37 273.120 25000.0 73 317.136 37500.0 110 //