MassBank Record: UT000205



 8,15-DiHETE; LC-ESI-QIT; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000205
RECORD_TITLE: 8,15-DiHETE; LC-ESI-QIT; MS2; CE:40 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$NAME: 8,15-DiHETE CH$NAME: 8S,15S-dihydroxy-5Z,9E,11Z,13E-eicosatetraenoic acid CH$NAME: 8(S),15(S)-DiHETE CH$COMPOUND_CLASS: Natural Product; Lipid; Fatty acid CH$FORMULA: C20H32O4 CH$EXACT_MASS: 336.23006 CH$SMILES: CCCCCC(O)C=CC=CC=CC(O)CC=CCCCC(O)=O CH$IUPAC: InChI=1S/C20H32O4/c1-2-3-8-13-18(21)14-9-4-5-10-15-19(22)16-11-6-7-12-17-20(23)24/h4-6,9-11,14-15,18-19,21-22H,2-3,7-8,12-13,16-17H2,1H3,(H,23,24)/b5-4-,11-6-,14-9+,15-10+/t18-,19+/m0/s1 CH$LINK: CAS 80234-65-7 CH$LINK: CAYMAN 35370 CH$LINK: LIPIDBANK DFA8105
AC$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 40 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$SPLASH: splash10-03fu-0910000000-d2d414ab42c8feac6f22 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 93.040 9375.0 125 109.040 6250.0 83 110.973 21875.0 291 113.120 6250.0 83 119.040 18750.0 250 127.076 40625.0 541 147.040 28125.0 375 148.960 6250.0 83 151.040 21875.0 291 155.120 6250.0 83 163.089 75000.0 999 165.040 6250.0 83 171.120 12500.0 167 179.104 50000.0 666 179.440 9375.0 125 189.120 25000.0 333 189.920 6250.0 83 190.880 6250.0 83 191.120 21875.0 291 193.104 34375.0 458 201.080 12500.0 167 205.040 9375.0 125 205.240 12500.0 167 217.040 12500.0 167 245.200 6250.0 83 253.120 6250.0 83 273.040 18750.0 250 317.100 12500.0 167 335.120 9375.0 125 //