MassBank Record: UT000115



 15-HETE; LC-ESI-QIT; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000115
RECORD_TITLE: 15-HETE; LC-ESI-QIT; MS2; CE:50 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 50 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$SPLASH: splash10-0002-3900000000-133a226bf0eb8235ecec PK$NUM_PEAK: 3 PK$PEAK: m/z int. rel.int. 95.120 8333.3 666 113.040 8333.3 666 147.040 12500.0 999 //