MassBank Record: UT000293



 LTB4_20-Hydroxy; LC-ESI-QIT; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000293
RECORD_TITLE: LTB4_20-Hydroxy; LC-ESI-QIT; MS2; CE:30 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$NAME: LTB4_20-Hydroxy CH$NAME: 5S,12R,20-trihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid CH$NAME: (5R,12S,6Z,8E,10E,14Z)-5,12,20-Trihydroxy-6,8,10,14-icosatetraenoic acid CH$NAME: 20-hydroxy LTB4 CH$COMPOUND_CLASS: Natural Product; Lipid; Eicosanoid CH$FORMULA: C20H32O5 CH$EXACT_MASS: 352.22497 CH$SMILES: OCCCCCC=CCC(O)C=CC=CC=CC(O)CCCC(O)=O CH$IUPAC: InChI=1S/C20H32O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,18-19,21-23H,1-2,6,10-12,15-17H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1 CH$LINK: CAS 79516-82-8 CH$LINK: CAYMAN 20190 CH$LINK: LIPIDBANK XPR3120 CH$LINK: NIKKAJI J381.079H
AC$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 30 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$SPLASH: splash10-0uea-0709000000-d7a7994b98cf3bfbe072 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 93.040 6250.0 6 109.040 12500.0 11 114.960 6250.0 6 129.040 12500.0 11 151.151 121875.0 110 161.051 71875.0 65 176.989 46875.0 42 177.280 12500.0 11 179.040 31250.0 28 181.040 28125.0 25 189.120 21875.0 20 195.077 1106250.0 999 205.120 37500.0 34 219.063 21875.0 20 219.280 6250.0 6 261.156 50000.0 45 271.280 15625.0 14 273.100 12500.0 11 283.360 6250.0 6 289.200 25000.0 23 315.127 84375.0 76 315.280 25000.0 23 333.132 618750.0 559 333.490 15625.0 14 351.126 1100000.0 993 351.680 6250.0 6 //