MassBank Record: UT000283



 LTB4; LC-ESI-QIT; MS2; CE:35 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000283
RECORD_TITLE: LTB4; 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$NAME: LTB4 CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY 35 V AC$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: splash10-0udj-0931000000-ccfdaa3226146fe9edc3 PK$NUM_PEAK: 55 PK$PEAK: m/z int. rel.int. 57.200 12500.0 23 66.000 8333.3 15 70.869 83333.3 150 83.040 8333.3 15 92.992 133333.3 240 105.120 12500.0 23 105.280 16666.7 30 107.143 20833.3 38 109.113 212500.0 383 111.016 108333.3 195 118.960 12500.0 23 119.120 12500.0 23 122.880 20833.3 38 123.125 120833.3 218 128.560 12500.0 23 129.013 229166.7 413 131.120 12500.0 23 133.020 12500.0 23 135.040 20833.3 38 145.040 8333.3 15 147.200 12500.0 23 148.960 12500.0 23 149.200 12500.0 23 151.062 387500.0 699 153.040 12500.0 23 153.280 16666.7 30 155.040 41666.7 75 158.960 20833.3 38 161.116 212500.0 383 163.180 70833.3 128 175.104 62500.0 113 177.029 154166.7 278 179.040 33333.3 60 179.280 16666.7 30 181.046 279166.7 503 187.080 62500.0 113 189.120 20833.3 38 195.071 554166.7 999 203.141 441666.7 796 204.960 54166.7 98 205.120 16666.7 30 219.160 16666.7 30 223.040 8333.3 15 229.120 8333.3 15 231.120 8333.3 15 244.880 8333.3 15 245.200 145833.3 263 255.074 75000.0 135 255.280 8333.3 15 257.160 33333.3 60 272.880 16666.7 30 273.185 179166.7 323 299.120 141666.7 255 317.149 225000.0 406 335.178 145833.3 263 //