MassBank Record: UT000201



 8,15-DiHETE; LC-ESI-QIT; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000201
RECORD_TITLE: 8,15-DiHETE; 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$NAME: 8,15-DiHETE CH$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 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$SPLASH: splash10-000i-0019000000-0a9e4b4a3544dd29ce0e PK$NUM_PEAK: 39 PK$PEAK: m/z int. rel.int. 111.040 28125.0 2 127.056 65625.0 4 139.107 25000.0 2 155.104 243750.0 15 155.520 12500.0 1 163.194 81250.0 5 171.200 21875.0 1 173.164 53125.0 3 177.120 53125.0 3 178.960 21875.0 1 179.120 40625.0 2 179.280 31250.0 2 191.234 178125.0 11 193.120 40625.0 2 195.200 12500.0 1 197.120 18750.0 1 197.440 15625.0 1 208.120 28125.0 2 216.880 31250.0 2 217.175 171875.0 10 219.120 12500.0 1 221.206 350000.0 21 233.120 9375.0 1 235.152 1053125.0 64 235.520 53125.0 3 235.840 12500.0 1 236.160 15625.0 1 253.240 21875.0 1 254.960 12500.0 1 255.327 59375.0 4 273.225 550000.0 34 291.277 284375.0 17 299.216 153125.0 9 299.440 37500.0 2 317.229 2546875.0 156 318.160 21875.0 1 318.300 21875.0 1 335.129 16353125.0 999 335.827 28125.0 2 //