MassBank Record: UT000284



 LTB4; LC-ESI-QIT; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000284
RECORD_TITLE: LTB4; LC-ESI-QIT; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V AC$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-1940000000-ef988be204f5c54f4b21 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 70.640 12500.0 64 70.960 12500.0 64 71.280 8333.3 43 93.120 20833.3 106 95.040 20833.3 106 109.063 25000.0 128 111.120 41666.7 213 121.120 54166.7 276 122.940 33333.3 170 123.120 16666.7 85 128.960 37500.0 191 129.120 25000.0 128 151.040 45833.3 234 151.280 29166.7 149 159.040 25000.0 128 161.040 25000.0 128 161.280 16666.7 85 163.120 20833.3 106 177.060 66666.7 340 181.008 62500.0 319 195.068 95833.3 489 201.120 8333.3 43 203.120 195833.3 999 229.120 8333.3 43 245.200 79166.7 404 273.100 12500.0 64 //