MassBank Record: UT000294



 LTB4_20-Hydroxy; LC-ESI-QIT; MS2; CE:35 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000294
RECORD_TITLE: LTB4_20-Hydroxy; 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$NAME: LTB4_20-Hydroxy CH$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 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$SPLASH: splash10-0f8b-0924000000-bb49aa4e02bfea5085c5 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 71.040 9375.0 61 92.960 9375.0 61 108.880 15625.0 102 110.960 9375.0 61 123.040 12500.0 82 129.040 25000.0 163 151.120 31250.0 204 155.120 9375.0 61 159.040 6250.0 41 161.120 18750.0 122 177.150 28125.0 183 181.040 53125.0 347 195.092 153125.0 999 205.040 15625.0 102 217.200 9375.0 61 218.880 21875.0 143 231.040 12500.0 82 261.120 31250.0 204 271.280 9375.0 61 289.120 9375.0 61 289.280 6250.0 41 333.120 100000.0 652 351.152 90625.0 591 //