MassBank Record: UT000103



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

ACCESSION: UT000103
RECORD_TITLE: 15-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$NAME: 15-HEPE CH$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 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$SPLASH: splash10-066r-0196000000-8624d10a12528f37f821 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 111.120 18750.0 9 121.000 18750.0 9 147.107 21875.0 11 149.040 12500.0 6 151.040 9375.0 5 175.120 456250.0 219 177.120 34375.0 17 187.040 6250.0 3 201.163 109375.0 53 203.040 75000.0 36 217.200 6250.0 3 219.102 381250.0 183 221.040 62500.0 30 221.175 96875.0 47 229.200 31250.0 15 247.098 215625.0 104 248.128 65625.0 32 255.180 1290625.0 620 273.200 75000.0 36 281.213 18750.0 9 299.123 550000.0 264 315.160 6250.0 3 317.136 2078125.0 999 //