MassBank Record: UT000300



 LTB5; LC-ESI-QIT; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000300
RECORD_TITLE: LTB5; 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$NAME: LTB5 CH$NAME: 5S,12R-dihydroxy-6Z,8E,10E,14Z,17Z-eicosapentaenoic acid CH$NAME: 5,12-Dihydroxy-6,8,10,14,17-icosapentaenoic acid CH$COMPOUND_CLASS: Natural Product; Lipid; Eicosanoid CH$FORMULA: C20H30O4 CH$EXACT_MASS: 334.21441 CH$SMILES: CCC=CCC=CCC(O)C=CC=CC=CC(O)CCCC(O)=O CH$IUPAC: InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h3-4,6-11,14-15,18-19,21-22H,2,5,12-13,16-17H2,1H3,(H,23,24)/b4-3-,8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1 CH$LINK: CAS 88763-92-2 CH$LINK: LIPIDBANK XPR4102 CH$LINK: NIKKAJI J373.697K
AC$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$SPLASH: splash10-001i-0209000000-a818cc05c0ef95e2ad4d PK$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 111.040 9375.0 1 122.960 15625.0 1 123.200 34375.0 3 129.060 34375.0 3 150.960 40625.0 3 151.144 84375.0 7 155.093 12500.0 1 160.800 31250.0 2 161.074 156250.0 12 163.040 9375.0 1 167.120 18750.0 1 173.200 12500.0 1 177.120 156250.0 12 179.120 40625.0 3 181.085 121875.0 10 195.123 2525000.0 200 195.760 28125.0 2 201.200 162500.0 13 201.520 9375.0 1 205.186 171875.0 14 217.200 12500.0 1 237.200 12500.0 1 243.250 25000.0 2 253.200 100000.0 8 255.120 15625.0 1 261.120 9375.0 1 271.179 487500.0 39 271.760 12500.0 1 289.200 9375.0 1 297.145 93750.0 7 315.185 1743750.0 138 333.125 12615625.0 999 334.000 9375.0 1 //