MassBank Record: UT000304



 LTB5; LC-ESI-QIT; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000304
RECORD_TITLE: LTB5; LC-ESI-QIT; MS2; CE:40 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 40 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$SPLASH: splash10-0ir0-0900000000-d4d5e65bf183ee1dd84a PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 93.000 21875.0 318 107.120 6250.0 91 109.040 25000.0 363 111.040 28125.0 409 123.120 56250.0 817 128.880 12500.0 182 129.080 9375.0 136 135.040 6250.0 91 137.160 18750.0 272 146.960 6250.0 91 151.080 68750.0 999 159.040 12500.0 182 161.048 50000.0 727 173.120 9375.0 136 176.880 6250.0 91 178.960 6250.0 91 180.880 6250.0 91 181.120 21875.0 318 195.120 9375.0 136 201.440 9375.0 136 //