MassBank Record: UT000280



 LTB4; LC-ESI-QIT; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000280
RECORD_TITLE: LTB4; LC-ESI-QIT; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V AC$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: splash10-000i-0419000000-061132d646cd5dd85a1b PK$NUM_PEAK: 93 PK$PEAK: m/z int. rel.int. 108.984 200000.0 9 111.120 20833.3 1 123.120 125000.0 5 129.040 112500.0 5 135.040 37500.0 2 137.280 12500.0 1 149.200 20833.3 1 150.720 20833.3 1 151.257 766666.7 33 152.320 50000.0 2 152.720 66666.7 3 152.960 25000.0 1 153.233 50000.0 2 153.500 25000.0 1 154.480 16666.7 1 155.200 37500.0 2 155.520 16666.7 1 159.200 16666.7 1 159.440 16666.7 1 161.128 129166.7 6 161.343 187500.0 8 163.200 16666.7 1 163.469 58333.3 3 164.640 12500.0 1 165.040 29166.7 1 175.453 20833.3 1 177.310 600000.0 26 177.760 16666.7 1 178.080 37500.0 2 179.040 95833.3 4 179.292 50000.0 2 179.760 16666.7 1 180.560 12500.0 1 181.263 325000.0 14 181.680 20833.3 1 182.400 16666.7 1 185.440 12500.0 1 187.360 16666.7 1 194.240 16666.7 1 194.554 125000.0 5 195.274 8875000.0 386 196.157 787500.0 34 196.375 529166.7 23 196.643 487500.0 21 196.937 54166.7 2 197.260 112500.0 5 197.520 66666.7 3 197.771 25000.0 1 198.216 75000.0 3 198.587 20833.3 1 198.720 20833.3 1 199.040 33333.3 1 200.320 25000.0 1 200.920 12500.0 1 201.200 25000.0 1 203.317 633333.3 28 204.240 25000.0 1 204.560 16666.7 1 205.253 229166.7 10 205.827 20833.3 1 206.280 87500.0 4 206.480 16666.7 1 206.640 12500.0 1 206.840 29166.7 1 207.760 12500.0 1 239.200 33333.3 1 239.360 37500.0 2 245.120 25000.0 1 245.440 83333.3 4 245.680 12500.0 1 255.443 370833.3 16 256.080 20833.3 1 256.400 25000.0 1 257.240 25000.0 1 273.460 1133333.3 49 274.053 66666.7 3 274.400 20833.3 1 274.960 16666.7 1 291.520 16666.7 1 299.459 341666.7 15 299.840 12500.0 1 300.720 12500.0 1 317.413 5945833.3 259 318.112 150000.0 7 318.465 83333.3 4 318.773 70833.3 3 318.960 20833.3 1 319.120 20833.3 1 334.500 12500.0 1 335.167 22958333.3 999 335.956 150000.0 7 336.600 12500.0 1 337.200 20833.3 1 //