MassBank Record: UT000287



 LTB4; LC-ESI-QIT; MS2; CE:55 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: UT000287
RECORD_TITLE: LTB4; LC-ESI-QIT; MS2; CE:55 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$MASS_SPECTROMETRY: COLLISION_ENERGY 55 V AC$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: splash10-052f-9700000000-66a6a217eba63b4874d1 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 55.440 16666.7 160 55.920 12500.0 120 56.720 16666.7 160 70.853 45833.3 440 93.093 104166.7 999 94.960 45833.3 440 95.107 45833.3 440 106.880 12500.0 120 107.040 37500.0 360 108.960 50000.0 480 109.120 16666.7 160 111.120 33333.3 320 120.960 16666.7 160 123.040 16666.7 160 129.027 25000.0 240 133.040 16666.7 160 143.280 8333.3 80 159.120 12500.0 120 //