MassBank Record: UT000105



 15-HEPE; LC-ESI-QIT; MS2; CE:35 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000105
RECORD_TITLE: 15-HEPE; LC-ESI-QIT; MS2; CE:35 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 35 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$SPLASH: splash10-014i-0239000000-3d78dc1adc4d3308297d PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 83.040 6250.0 13 111.200 18750.0 38 121.040 6250.0 13 172.880 9375.0 19 173.040 21875.0 44 173.280 6250.0 13 175.120 50000.0 101 177.120 6250.0 13 187.160 6250.0 13 191.120 15625.0 31 200.960 15625.0 31 201.120 25000.0 50 202.960 9375.0 19 203.120 12500.0 25 218.960 6250.0 13 221.120 9375.0 19 221.280 12500.0 25 227.200 9375.0 19 229.040 18750.0 38 245.200 6250.0 13 246.960 12500.0 25 247.120 12500.0 25 255.104 43750.0 88 273.140 15625.0 31 299.280 12500.0 25 317.209 496875.0 999 317.600 31250.0 63 //