MassBank Record: UT000281



 LTB4; LC-ESI-QIT; MS2; CE:25 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000281
RECORD_TITLE: LTB4; 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$NAME: LTB4 CH$NAME: 5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid CH$NAME: (5S,12R,6Z,8E,10E,14Z)-5,12-Dihydroxy-6,8,10,14-icosatetraenoic acid CH$NAME: (6Z,8E,10E,14Z)-(5S,12R)-5,12-Dihydroxyeicosa-6,8,10,14-tetraenoate CH$NAME: (6Z,8E,10E,14Z)-(5S,12R)-5,12-Dihydroxyicosa-6,8,10,14-tetraenoate CH$NAME: Leukotriene B4 CH$COMPOUND_CLASS: Natural Product; Lipid; Eicosanoid CH$FORMULA: C20H32O4 CH$EXACT_MASS: 336.23006 CH$SMILES: CCCCCC=CCC([H])(O)C=CC=CC=CC([H])(O)CCCC(O)=O CH$IUPAC: InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1 CH$LINK: CAS 71160-24-2 CH$LINK: CAYMAN 20110 CH$LINK: CHEBI 15647 CH$LINK: KEGG C02165 CH$LINK: LIPIDBANK XPR3101 CH$LINK: NIKKAJI J240.041C CH$LINK: PUBCHEM 5240
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: splash10-00ks-0829000000-7da7ab59ee0d4812767b PK$NUM_PEAK: 133 PK$PEAK: m/z int. rel.int. 71.040 16666.7 1 93.092 129166.7 6 94.960 75000.0 3 107.040 29166.7 1 108.752 25000.0 1 109.108 437500.0 20 110.560 16666.7 1 110.987 158333.3 7 112.960 16666.7 1 114.880 20833.3 1 120.960 41666.7 2 123.078 512500.0 24 129.062 658333.3 31 133.040 54166.7 3 133.360 16666.7 1 135.157 162500.0 8 136.540 16666.7 1 136.780 12500.0 1 137.072 25000.0 1 137.440 12500.0 1 139.170 29166.7 1 140.960 16666.7 1 141.136 45833.3 2 144.800 12500.0 1 147.167 50000.0 2 147.520 12500.0 1 149.040 25000.0 1 149.280 25000.0 1 150.640 16666.7 1 151.191 2270833.3 105 151.760 50000.0 2 152.351 216666.7 10 153.310 308333.3 14 153.780 12500.0 1 154.480 12500.0 1 155.169 254166.7 12 155.440 37500.0 2 156.000 25000.0 1 159.267 262500.0 12 160.080 16666.7 1 161.181 716666.7 33 161.840 12500.0 1 162.423 29166.7 1 162.620 12500.0 1 163.217 237500.0 11 163.520 25000.0 1 165.000 16666.7 1 166.960 208333.3 10 170.080 12500.0 1 170.880 16666.7 1 174.960 29166.7 1 175.304 166666.7 8 176.400 25000.0 1 177.218 1337500.0 62 177.600 37500.0 2 177.820 25000.0 1 178.113 120833.3 6 178.450 41666.7 2 178.790 45833.3 2 179.148 458333.3 21 180.000 25000.0 1 180.320 20833.3 1 181.204 1170833.3 54 182.240 70833.3 3 182.720 20833.3 1 183.440 25000.0 1 186.800 16666.7 1 187.040 133333.3 6 187.200 50000.0 2 189.140 20833.3 1 189.360 29166.7 1 194.320 20833.3 1 194.648 37500.0 2 195.165 18345833.3 851 195.786 820833.3 38 196.054 966666.7 45 196.542 279166.7 13 197.052 212500.0 10 197.360 62500.0 3 197.503 108333.3 5 197.880 79166.7 4 198.320 16666.7 1 198.800 16666.7 1 199.200 12500.0 1 202.080 12500.0 1 203.279 1841666.7 85 203.920 12500.0 1 204.160 20833.3 1 204.320 20833.3 1 204.460 45833.3 2 205.194 695833.3 32 205.920 33333.3 2 206.180 33333.3 2 207.020 12500.0 1 207.200 16666.7 1 207.440 12500.0 1 215.840 12500.0 1 217.280 29166.7 1 219.064 87500.0 4 219.360 87500.0 4 223.040 16666.7 1 223.280 33333.3 2 227.360 12500.0 1 229.040 12500.0 1 229.200 12500.0 1 231.216 100000.0 5 239.188 133333.3 6 239.440 25000.0 1 239.840 12500.0 1 243.280 12500.0 1 245.267 991666.7 46 246.080 12500.0 1 255.236 708333.3 33 256.160 25000.0 1 256.480 29166.7 1 257.280 266666.7 12 271.463 20833.3 1 273.256 3350000.0 155 273.951 45833.3 2 274.311 62500.0 3 274.590 20833.3 1 274.800 12500.0 1 275.347 154166.7 7 291.280 154166.7 7 299.263 1054166.7 49 299.960 45833.3 2 301.240 16666.7 1 317.246 11629166.7 539 317.970 133333.3 6 318.320 50000.0 2 318.560 62500.0 3 335.144 21537500.0 999 335.840 37500.0 2 //