MassBank Record: UT000282



 LTB4; LC-ESI-QIT; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000282
RECORD_TITLE: LTB4; LC-ESI-QIT; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V AC$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: splash10-0002-0933000000-3fb381ce0f3609a90222 PK$NUM_PEAK: 90 PK$PEAK: m/z int. rel.int. 55.520 29166.7 6 56.880 8333.3 2 57.120 16666.7 3 70.640 8333.3 2 70.960 83333.3 16 81.040 16666.7 3 83.200 8333.3 2 88.960 12500.0 2 92.560 8333.3 2 92.900 91666.7 17 93.120 150000.0 28 94.960 12500.0 2 95.120 33333.3 6 105.040 12500.0 2 107.120 58333.3 11 108.440 16666.7 3 109.059 279166.7 53 110.320 8333.3 2 111.101 166666.7 31 114.960 16666.7 3 118.880 8333.3 2 121.200 16666.7 3 123.062 337500.0 64 123.280 29166.7 6 127.920 8333.3 2 129.072 600000.0 113 131.200 16666.7 3 133.040 87500.0 17 135.120 54166.7 10 136.800 12500.0 2 136.960 25000.0 5 141.040 20833.3 4 143.120 16666.7 3 147.120 12500.0 2 149.280 29166.7 6 150.720 12500.0 2 151.139 1445833.3 273 153.106 137500.0 26 155.083 137500.0 26 159.130 208333.3 39 160.880 58333.3 11 161.144 391666.7 74 163.115 166666.7 31 165.040 25000.0 5 166.960 16666.7 3 167.200 33333.3 6 174.960 20833.3 4 175.167 87500.0 17 176.800 58333.3 11 177.110 620833.3 117 179.102 295833.3 56 180.720 8333.3 2 181.120 600000.0 113 187.176 50000.0 9 187.360 29166.7 6 188.880 8333.3 2 189.200 8333.3 2 193.120 16666.7 3 195.092 5295833.3 999 195.488 25000.0 5 195.760 20833.3 4 201.280 12500.0 2 203.176 1154166.7 218 205.063 337500.0 64 217.120 25000.0 5 219.110 37500.0 7 219.280 8333.3 2 223.063 29166.7 6 225.040 25000.0 5 225.200 20833.3 4 227.149 58333.3 11 229.040 25000.0 5 229.360 8333.3 2 230.980 12500.0 2 231.120 37500.0 7 239.200 20833.3 4 239.440 12500.0 2 245.169 629166.7 119 255.169 358333.3 68 257.172 200000.0 38 263.120 8333.3 2 271.200 16666.7 3 273.200 1391666.7 263 275.120 12500.0 2 281.200 12500.0 2 291.200 58333.3 11 299.131 416666.7 79 317.146 2491666.7 470 317.600 16666.7 3 335.134 2150000.0 406 //