MassBank Record: UT000176



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

ACCESSION: UT000176
RECORD_TITLE: 5-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$NAME: 5-HETE CH$NAME: 5S-hydroxy-6E,8Z,11Z,14Z-eicosatetraenoic acid CH$NAME: (5Z,8Z,11Z,14Z)-5-Hydroxy-5,8,11,14-icosatetraenoic acid CH$NAME: 5(S)-HETE CH$NAME: (6E,8Z,11Z,14Z)-(5S)-5-Hydroxyicosa-6,8,11,14-tetraenoic acid CH$NAME: 5-Hydroxyeicosatetraenoate CH$COMPOUND_CLASS: Natural Product; Lipid; Fatty acid CH$FORMULA: C20H32O3 CH$EXACT_MASS: 320.23514 CH$SMILES: CCCCCC=CCC=CCC=CC=CC(O)CCCC(O)=O CH$IUPAC: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16,19,21H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1 CH$LINK: CAS 70608-72-9 CH$LINK: CAYMAN 34230 CH$LINK: CHEBI 28209 CH$LINK: KEGG C04805 CH$LINK: LIPIDBANK DFA8129 XPR6101 CH$LINK: NIKKAJI J246.648A CH$LINK: PUBCHEM 7367
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: splash10-03di-1930000000-b877c0d03861ddd2728d PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 56.880 8333.3 48 57.120 12500.0 71 114.994 175000.0 999 203.110 41666.7 238 229.200 16666.7 95 257.200 12500.0 71 //