MassBank Record: UT000102



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

ACCESSION: UT000102
RECORD_TITLE: 15-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$NAME: 15-HEPE CH$NAME: 15-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid CH$NAME: (5Z,8Z,11Z,14Z,17Z)-15-Hydroxy-5,8,11,14,17-icosapentaenoic acid CH$NAME: (+-)15-HEPE CH$COMPOUND_CLASS: Natural Product; Lipid; Fatty acid CH$FORMULA: C20H30O3 CH$EXACT_MASS: 318.21949 CH$SMILES: CCC=CCC(O)C=CC=CCC=CCC=CCCCC(O)=O CH$IUPAC: InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h3-5,8-11,13-14,17,19,21H,2,6-7,12,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,13-3-,17-14+/t19-/m0/s1 CH$LINK: CAS 88852-33-9 CH$LINK: CAYMAN 32700 CH$LINK: LIPIDBANK DFA8126 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 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$SPLASH: splash10-014i-0189000000-234c1427efa0cb7915f7 PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 121.040 6250.0 1 162.910 34375.0 5 163.120 118750.0 18 172.960 12500.0 2 174.720 6250.0 1 175.185 809375.0 126 175.440 56250.0 9 175.600 6250.0 1 176.720 9375.0 1 177.440 9375.0 1 191.040 12500.0 2 193.100 12500.0 2 201.164 96875.0 15 201.360 21875.0 3 203.218 62500.0 10 203.440 12500.0 2 205.120 12500.0 2 207.280 9375.0 1 219.143 775000.0 121 220.160 6250.0 1 220.400 6250.0 1 221.040 62500.0 10 221.264 62500.0 10 227.280 9375.0 1 247.140 362500.0 56 248.080 93750.0 15 255.205 2690625.0 419 256.080 9375.0 1 273.183 225000.0 35 274.960 6250.0 1 275.120 6250.0 1 281.280 6250.0 1 299.181 1200000.0 187 300.320 9375.0 1 317.128 6421875.0 999 318.080 9375.0 1 //