MassBank Record: UT000204



 8,15-DiHETE; LC-ESI-QIT; MS2; CE:35 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000204
RECORD_TITLE: 8,15-DiHETE; 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$NAME: 8,15-DiHETE CH$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 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$SPLASH: splash10-00bc-0931000000-9bc844d1d3f7c47cd4b1 PK$NUM_PEAK: 47 PK$PEAK: m/z int. rel.int. 109.065 53125.0 236 110.800 6250.0 28 111.120 28125.0 125 113.120 31250.0 139 119.200 9375.0 42 122.960 6250.0 28 123.120 9375.0 42 124.960 9375.0 42 127.120 146875.0 652 139.040 12500.0 56 147.200 9375.0 42 149.000 18750.0 83 150.960 6250.0 28 151.120 25000.0 111 153.120 15625.0 69 155.029 65625.0 291 161.120 12500.0 56 163.088 121875.0 541 171.040 46875.0 208 173.040 34375.0 153 175.147 28125.0 125 177.120 12500.0 56 179.104 225000.0 999 189.120 9375.0 42 190.240 9375.0 42 191.100 206250.0 916 193.040 118750.0 527 197.120 15625.0 69 205.120 25000.0 111 207.120 12500.0 56 208.000 6250.0 28 217.120 59375.0 264 219.120 21875.0 97 221.120 75000.0 333 227.040 6250.0 28 235.072 34375.0 153 245.120 28125.0 125 253.280 12500.0 56 255.193 78125.0 347 271.280 6250.0 28 273.171 175000.0 777 291.200 9375.0 42 299.173 21875.0 97 307.120 6250.0 28 317.067 162500.0 722 317.420 9375.0 42 335.040 68750.0 305 //