MassBank Record: UT000136



 18-HEPE; LC-ESI-QIT; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000136
RECORD_TITLE: 18-HEPE; LC-ESI-QIT; MS2; CE:10 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V AC$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-0039000000-ee514326718a8bf90aea PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 149.120 9375.0 1 163.243 156250.0 11 215.200 893750.0 61 217.120 15625.0 1 219.280 9375.0 1 221.280 9375.0 1 239.040 50000.0 3 239.225 84375.0 6 245.160 28125.0 2 255.242 1781250.0 122 255.933 25000.0 2 256.720 9375.0 1 259.218 634375.0 43 271.040 18750.0 1 271.280 12500.0 1 273.195 425000.0 29 274.240 9375.0 1 274.880 9375.0 1 281.280 18750.0 1 299.201 1296875.0 89 299.940 12500.0 1 300.640 9375.0 1 317.138 14603125.0 999 317.569 100000.0 7 317.920 15625.0 1 318.400 12500.0 1 318.880 9375.0 1 //