MassBank Record: UT000328



 LipoxinA4; LC-ESI-QIT; MS2; CE:35 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000328
RECORD_TITLE: LipoxinA4; 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$NAME: LipoxinA4 CH$NAME: 5S,6R,15S-trihydroxy-7E,9E,11Z,13E-eicosatetraenoic acid CH$NAME: (5S,6R,7E,9E,11Z,13E,15S)-5,6,15-Trihydroxy-7,9,11,13-icosatetraenoic acid CH$NAME: LXA4 CH$COMPOUND_CLASS: Natural Product; Lipid; Eicosanoid CH$FORMULA: C20H32O5 CH$EXACT_MASS: 352.22497 CH$SMILES: CCCCCC([H])(O)C=CC=CC=CC=CC([H])(O)C([H])(O)CCCC(O)=O CH$IUPAC: InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t17-,18-,19-/m0/s1 CH$LINK: CAS 89663-86-5 CH$LINK: CAYMAN 90410 CH$LINK: LIPIDBANK XPR4001 CH$LINK: NIKKAJI J138.388D
AC$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$SPLASH: splash10-014i-0390000000-f26b46b4b766c8fa9cc4 PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 95.140 12500.0 4 99.080 20833.3 7 106.160 12500.0 4 109.040 12500.0 4 113.200 12500.0 4 115.049 320833.3 102 119.056 25000.0 8 126.800 8333.3 3 132.880 16666.7 5 133.080 20833.3 7 135.093 37500.0 12 139.040 16666.7 5 139.200 12500.0 4 143.120 12500.0 4 144.080 29166.7 9 144.920 33333.3 11 146.080 8333.3 3 149.040 12500.0 4 151.040 12500.0 4 161.084 50000.0 16 163.040 66666.7 21 165.120 37500.0 12 171.040 12500.0 4 173.051 100000.0 32 175.070 87500.0 28 176.000 8333.3 3 179.120 20833.3 7 187.120 12500.0 4 189.126 208333.3 66 191.173 29166.7 9 193.040 8333.3 3 199.120 420833.3 133 201.040 29166.7 9 202.000 12500.0 4 207.120 20833.3 7 215.040 116666.7 37 217.111 3150000.0 999 233.093 16666.7 5 235.145 304166.7 96 242.960 8333.3 3 253.120 8333.3 3 271.200 45833.3 15 289.140 41666.7 13 307.280 8333.3 3 315.120 16666.7 5 //