MassBank Record: UT000138



 18-HEPE; LC-ESI-QIT; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000138
RECORD_TITLE: 18-HEPE; LC-ESI-QIT; MS2; CE:20 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$NAME: 18-HEPE CH$NAME: 18-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid CH$NAME: (+-)18-HEPE CH$COMPOUND_CLASS: Natural Product; Lipid; Fatty acid CH$FORMULA: C20H30O3 CH$EXACT_MASS: 318.21949 CH$SMILES: CCC(O)C=CC=CCC=CCC=CCC=CCCCC(O)=O CH$IUPAC: InChI=1S/C20H30O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,15,17,19,21H,2-3,8-9,14,16,18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-,17-15+ CH$LINK: CAS 141110-17-0 CH$LINK: CAYMAN 32840
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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V AC$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: splash10-014i-0097000000-7b181cdd988f2f389df1 PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 149.200 12500.0 2 161.164 59375.0 10 163.120 62500.0 11 163.360 21875.0 4 177.200 9375.0 2 187.200 9375.0 2 189.280 12500.0 2 201.166 121875.0 20 215.188 1621875.0 273 216.640 6250.0 1 217.120 12500.0 2 221.200 12500.0 2 229.120 15625.0 3 231.120 9375.0 2 239.200 59375.0 10 245.170 81250.0 14 247.280 6250.0 1 255.176 2209375.0 371 259.152 762500.0 128 260.240 6250.0 1 261.120 9375.0 2 261.360 6250.0 1 271.127 62500.0 11 273.184 528125.0 89 273.760 12500.0 2 281.200 6250.0 1 289.360 9375.0 2 299.157 1175000.0 197 317.127 5943750.0 999 318.080 6250.0 1 //