MassBank Record: UT000305



 LTB5; LC-ESI-QIT; MS2; CE:45 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000305
RECORD_TITLE: LTB5; LC-ESI-QIT; MS2; CE:45 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 45 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$SPLASH: splash10-0dpi-2900000000-87002df340696b338906 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 70.880 9375.0 272 81.120 6250.0 182 93.040 15625.0 454 95.040 6250.0 182 104.960 9375.0 272 109.096 34375.0 999 110.960 12500.0 363 123.040 15625.0 454 144.960 6250.0 182 161.130 21875.0 636 180.880 15625.0 454 //