MassBank Record: UT000212



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

ACCESSION: UT000212
RECORD_TITLE: 8-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$NAME: 8-HEPE CH$NAME: 8-hydroxy-5Z,9E,11Z,14Z,17Z-eicosapentaenoic acid CH$NAME: (+-)8-HEPE CH$COMPOUND_CLASS: Natural Product; Lipid; Fatty acid CH$FORMULA: C20H30O3 CH$EXACT_MASS: 318.21949 CH$SMILES: CCC=CCC=CCC=CC=CC(O)CC=CCCCC(O)=O CH$IUPAC: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h3-4,6-7,9-11,13-14,16,19,21H,2,5,8,12,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,14-11-,16-13+/t19-/m1/s1 CH$LINK: CAYMAN 32340 CH$LINK: LIPIDBANK DFA8120
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: splash10-0cdi-0965000000-4ff6d49cbb1f9e59ea1a PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 109.200 9375.0 19 111.040 40625.0 81 118.960 6250.0 12 121.120 40625.0 81 127.113 34375.0 68 137.120 18750.0 37 155.009 259375.0 515 161.154 359375.0 714 163.040 9375.0 19 168.880 6250.0 12 171.120 25000.0 50 173.040 18750.0 37 185.120 6250.0 12 188.960 21875.0 43 189.220 9375.0 19 197.200 12500.0 25 200.960 15625.0 31 201.120 34375.0 68 219.200 6250.0 12 219.360 6250.0 12 227.120 21875.0 43 255.180 353125.0 701 272.960 31250.0 62 273.200 46875.0 93 299.173 134375.0 267 317.136 503125.0 999 //