MassBank Record: UT000166



 5-HEPE; LC-ESI-QIT; MS2; CE:25 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000166
RECORD_TITLE: 5-HEPE; LC-ESI-QIT; MS2; CE:25 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$NAME: 5-HEPE CH$NAME: 5-hydroxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid CH$NAME: (5Z,8Z,11Z,14Z,17Z)-15-Hydroxy-5,8,11,14,17-icosapentaenoic acid CH$NAME: (+-)5-HEPE CH$COMPOUND_CLASS: Natural Product; Lipid; Fatty acid CH$FORMULA: C20H30O3 CH$EXACT_MASS: 318.21949 CH$SMILES: CCC=CCC=CCC=CCC=CC=CC(O)CCCC(O)=O CH$IUPAC: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h3-4,6-7,9-10,12-14,16,19,21H,2,5,8,11,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,13-12-,16-14+/t19-/m1/s1 CH$LINK: CAS 83952-40-3 CH$LINK: CAYMAN 32200 CH$LINK: LIPIDBANK DFA8118 CH$LINK: NIKKAJI J1.881.939B
AC$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 25 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$SPLASH: splash10-066r-0195000000-e368f8c8768974435a0e PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 114.800 37500.0 27 115.077 187500.0 133 128.900 15625.0 11 129.120 9375.0 7 175.200 21875.0 16 177.120 12500.0 9 201.153 318750.0 227 201.520 9375.0 7 221.133 15625.0 11 239.040 15625.0 11 243.040 9375.0 7 245.200 50000.0 36 255.169 1403125.0 999 257.200 9375.0 7 271.120 6250.0 4 273.171 62500.0 44 299.196 356250.0 254 315.020 12500.0 9 317.167 1246875.0 888 //