MassBank Record: UT000110



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

ACCESSION: UT000110
RECORD_TITLE: 15-HETE; 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$NAME: 15-HETE CH$NAME: 15S-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acid CH$NAME: (5Z,8Z,11Z,14Z)-15-Hydroxy-5,8,11,14-icosatetraenoic acid CH$NAME: 15(S)-HETE CH$NAME: (15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosatetraenoate CH$NAME: (15S)-15-Hydroxy-5,8,11-cis-13-trans-icosatetraenoate CH$NAME: (5Z,8Z,11Z,13E)-(15S)-15-Hydroxyicosa-5,8,11,13-tetraenoic acid CH$COMPOUND_CLASS: Natural Product; Lipid; Fatty acid CH$FORMULA: C20H32O3 CH$EXACT_MASS: 320.23514 CH$SMILES: CCCCCC(O)C=CC=CCC=CCC=CCCCC(O)=O CH$IUPAC: InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1 CH$LINK: CAS 54845-95-3 CH$LINK: CAYMAN 34720 CH$LINK: CHEBI 15558 CH$LINK: KEGG C04742 CH$LINK: LIPIDBANK DFA8140 CH$LINK: NIKKAJI J246.650C CH$LINK: PUBCHEM 7313
AC$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$SPLASH: splash10-0ldi-0398000000-ff190e7ef4788dc235b4 PK$NUM_PEAK: 139 PK$PEAK: m/z int. rel.int. 97.040 8333.3 1 98.880 33333.3 2 113.034 291666.7 18 113.360 25000.0 2 117.040 50000.0 3 118.880 33333.3 2 121.029 100000.0 6 127.120 25000.0 2 131.280 8333.3 1 133.120 8333.3 1 135.200 12500.0 1 138.960 37500.0 2 139.206 91666.7 6 140.960 8333.3 1 141.120 12500.0 1 143.120 16666.7 1 143.360 8333.3 1 147.200 41666.7 3 149.040 33333.3 2 149.200 37500.0 2 150.560 8333.3 1 151.280 25000.0 2 153.040 16666.7 1 154.960 12500.0 1 155.280 12500.0 1 157.040 16666.7 1 158.880 12500.0 1 159.040 16666.7 1 159.280 20833.3 1 159.680 8333.3 1 161.160 104166.7 6 163.190 341666.7 21 163.520 12500.0 1 164.320 25000.0 2 164.560 12500.0 1 164.800 20833.3 1 165.160 70833.3 4 167.234 187500.0 11 167.680 16666.7 1 168.480 8333.3 1 173.120 25000.0 2 174.480 16666.7 1 174.720 41666.7 3 175.231 6050000.0 363 175.856 154166.7 9 176.080 50000.0 3 176.366 154166.7 9 176.640 58333.3 4 177.227 637500.0 38 177.760 16666.7 1 178.160 20833.3 1 178.800 16666.7 1 179.280 33333.3 2 179.520 12500.0 1 180.880 8333.3 1 181.276 129166.7 8 182.240 8333.3 1 182.800 12500.0 1 183.265 287500.0 17 184.560 8333.3 1 186.800 12500.0 1 186.960 8333.3 1 187.280 12500.0 1 187.440 29166.7 2 189.040 16666.7 1 189.208 45833.3 3 191.244 129166.7 8 193.169 395833.3 24 193.760 16666.7 1 194.400 8333.3 1 194.960 20833.3 1 199.360 20833.3 1 201.218 475000.0 29 202.720 20833.3 1 203.243 2000000.0 120 203.874 33333.3 2 204.080 20833.3 1 204.400 45833.3 3 204.640 16666.7 1 205.217 562500.0 34 206.240 8333.3 1 215.040 137500.0 8 215.234 137500.0 8 215.520 20833.3 1 217.060 12500.0 1 217.280 20833.3 1 219.218 4300000.0 258 220.010 237500.0 14 220.160 175000.0 11 220.424 70833.3 4 220.560 37500.0 2 220.800 20833.3 1 221.214 587500.0 35 221.760 20833.3 1 222.080 16666.7 1 222.480 16666.7 1 222.860 12500.0 1 223.160 162500.0 10 223.488 25000.0 2 224.000 29166.7 2 229.221 279166.7 17 230.800 12500.0 1 232.960 12500.0 1 241.560 8333.3 1 242.240 8333.3 1 245.245 208333.3 13 255.060 12500.0 1 255.360 70833.3 4 257.272 16283333.3 978 258.020 583333.3 35 258.240 320833.3 19 258.577 120833.3 7 258.833 104166.7 6 259.373 20833.3 1 260.160 12500.0 1 265.200 25000.0 2 265.520 29166.7 2 271.200 25000.0 2 271.440 12500.0 1 273.200 254166.7 15 275.040 283333.3 17 275.274 1933333.3 116 275.733 33333.3 2 275.920 29166.7 2 276.336 41666.7 3 276.800 12500.0 1 276.960 16666.7 1 277.440 12500.0 1 281.600 8333.3 1 283.269 562500.0 34 299.440 16666.7 1 301.223 13120833.3 788 301.954 54166.7 3 302.200 45833.3 3 302.640 37500.0 2 304.000 8333.3 1 317.234 225000.0 14 319.164 16633333.3 999 319.960 45833.3 3 //