MassBank Record: UT000174



 5-HETE; LC-ESI-QIT; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000174
RECORD_TITLE: 5-HETE; LC-ESI-QIT; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V AC$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: splash10-1000-0293000000-6e834102b17e5bbec6fc PK$NUM_PEAK: 39 PK$PEAK: m/z int. rel.int. 53.920 8333.3 2 55.840 12500.0 4 56.400 8333.3 2 57.100 20833.3 6 70.987 16666.7 5 114.220 16666.7 5 115.026 1233333.3 367 115.360 29166.7 9 115.540 12500.0 4 116.960 8333.3 2 128.880 20833.3 6 129.040 12500.0 4 129.200 16666.7 5 161.040 8333.3 2 163.102 66666.7 20 175.120 12500.0 4 177.180 187500.0 56 177.600 12500.0 4 189.192 75000.0 22 191.040 16666.7 5 203.170 2320833.3 691 205.120 54166.7 16 215.178 100000.0 30 222.880 25000.0 7 223.240 20833.3 6 229.155 408333.3 122 231.120 25000.0 7 245.120 25000.0 7 247.173 229166.7 68 255.120 12500.0 4 257.198 3354166.7 999 259.173 25000.0 7 273.120 12500.0 4 275.196 216666.7 65 283.160 50000.0 15 283.360 16666.7 5 301.174 1370833.3 408 301.700 12500.0 4 319.163 1145833.3 341 //