MassBank Record: UT000113



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

ACCESSION: UT000113
RECORD_TITLE: 15-HETE; 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$NAME: 15-HETE CH$NAME: 15S-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acid CH$NAME: (5Z,8Z,11Z,14Z)-15-Hydroxy-5,8,11,14-icosatetraenoic acid CH$NAME: 15(S)-HETE CH$NAME: (15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosatetraenoate CH$NAME: (15S)-15-Hydroxy-5,8,11-cis-13-trans-icosatetraenoate CH$NAME: (5Z,8Z,11Z,13E)-(15S)-15-Hydroxyicosa-5,8,11,13-tetraenoic acid CH$COMPOUND_CLASS: Natural Product; Lipid; Fatty acid CH$FORMULA: C20H32O3 CH$EXACT_MASS: 320.23514 CH$SMILES: CCCCCC(O)C=CC=CCC=CCC=CCCCC(O)=O CH$IUPAC: InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1 CH$LINK: CAS 54845-95-3 CH$LINK: CAYMAN 34720 CH$LINK: CHEBI 15558 CH$LINK: KEGG C04742 CH$LINK: LIPIDBANK DFA8140 CH$LINK: NIKKAJI J246.650C CH$LINK: PUBCHEM 7313
AC$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$SPLASH: splash10-004i-1591000000-9d6de8ee88a3df3306d7 PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 97.040 20833.3 499 113.120 20833.3 499 113.280 12500.0 300 175.040 29166.7 699 175.280 12500.0 300 189.160 12500.0 300 201.040 12500.0 300 203.120 33333.3 799 215.040 8333.3 200 221.120 20833.3 499 229.120 41666.7 999 257.280 37500.0 899 319.120 20833.3 499 //