MassBank Record: UT000175



 5-HETE; LC-ESI-QIT; MS2; CE:35 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000175
RECORD_TITLE: 5-HETE; LC-ESI-QIT; MS2; CE:35 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$MASS_SPECTROMETRY: COLLISION_ENERGY 35 V AC$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: splash10-1000-0390000000-61ebc99aa5f8333b07d2 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 57.200 8333.3 14 110.980 12500.0 22 115.022 395833.3 683 128.800 8333.3 14 163.120 12500.0 22 175.173 25000.0 43 177.143 16666.7 29 203.179 579166.7 999 215.093 29166.7 50 229.168 116666.7 201 245.120 12500.0 22 247.160 37500.0 65 257.169 341666.7 589 301.120 70833.3 122 319.147 16666.7 29 //