MassBank Record: UT000140



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

ACCESSION: UT000140
RECORD_TITLE: 18-HEPE; 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$NAME: 18-HEPE CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V AC$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: splash10-014i-0196000000-e4e08b16643c5f8c0f6f PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 147.280 6250.0 9 157.120 6250.0 9 160.960 12500.0 18 163.040 9375.0 13 173.280 12500.0 18 175.060 9375.0 13 181.147 12500.0 18 187.220 9375.0 13 189.040 9375.0 13 191.120 28125.0 40 201.120 43750.0 63 201.360 12500.0 18 203.040 6250.0 9 207.120 21875.0 31 215.127 206250.0 296 217.120 9375.0 13 219.200 9375.0 13 243.200 6250.0 9 255.150 325000.0 466 259.143 103125.0 148 261.040 15625.0 22 271.040 6250.0 9 273.149 75000.0 108 273.360 21875.0 31 299.120 100000.0 143 317.173 696875.0 999 //