MassBank Record: UT000202



 8,15-DiHETE; LC-ESI-QIT; MS2; CE:25 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000202
RECORD_TITLE: 8,15-DiHETE; 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$NAME: 8,15-DiHETE CH$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 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$SPLASH: splash10-000i-0239000000-f1a6ea8ed60c08a1c1ef PK$NUM_PEAK: 67 PK$PEAK: m/z int. rel.int. 108.960 15625.0 3 109.144 21875.0 4 110.989 81250.0 14 112.960 43750.0 7 113.088 43750.0 7 123.150 25000.0 4 127.053 106250.0 18 137.040 15625.0 3 139.040 34375.0 6 139.280 6250.0 1 149.040 12500.0 2 149.280 15625.0 3 153.120 6250.0 1 154.880 31250.0 5 155.084 134375.0 22 163.148 187500.0 31 168.960 18750.0 3 169.136 34375.0 6 171.080 78125.0 13 173.280 15625.0 3 175.120 15625.0 3 177.153 56250.0 9 179.150 278125.0 46 179.680 6250.0 1 181.040 12500.0 2 189.150 18750.0 3 190.180 18750.0 3 191.179 384375.0 64 191.560 6250.0 1 193.144 156250.0 26 195.110 40625.0 7 197.160 90625.0 15 199.040 25000.0 4 201.120 9375.0 2 205.173 25000.0 4 205.360 6250.0 1 207.200 6250.0 1 208.145 31250.0 5 209.200 9375.0 2 217.093 187500.0 31 217.280 40625.0 7 219.150 103125.0 17 221.088 515625.0 86 221.600 9375.0 2 223.120 15625.0 3 227.280 6250.0 1 235.119 978125.0 163 235.520 12500.0 2 237.120 9375.0 2 245.120 28125.0 5 245.380 9375.0 2 247.200 6250.0 1 253.147 12500.0 2 253.280 12500.0 2 255.120 131250.0 22 255.280 46875.0 8 257.200 9375.0 2 265.120 9375.0 2 273.172 940625.0 157 289.120 21875.0 4 291.188 465625.0 78 299.228 134375.0 22 307.280 15625.0 3 317.158 2753125.0 459 317.600 21875.0 4 335.121 5993750.0 999 335.760 18750.0 3 //