MassBank Record: UT000301



 LTB5; LC-ESI-QIT; MS2; CE:25 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000301
RECORD_TITLE: LTB5; LC-ESI-QIT; MS2; CE:25 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 25 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$SPLASH: splash10-001j-0829000000-0a8e49082c2592c2e26d PK$NUM_PEAK: 41 PK$PEAK: m/z int. rel.int. 109.120 50000.0 16 111.093 18750.0 6 123.120 15625.0 5 128.960 68750.0 22 147.120 9375.0 3 149.040 15625.0 5 151.120 262500.0 85 155.040 31250.0 10 158.960 37500.0 12 159.200 18750.0 6 161.068 200000.0 64 165.143 18750.0 6 167.040 9375.0 3 173.040 31250.0 10 176.800 9375.0 3 177.040 165625.0 53 179.073 109375.0 35 181.049 156250.0 50 187.120 12500.0 4 191.200 15625.0 5 195.072 2543750.0 820 195.520 6250.0 2 201.138 165625.0 53 203.120 9375.0 3 205.011 187500.0 60 207.200 9375.0 3 217.040 9375.0 3 220.000 25000.0 8 220.160 9375.0 3 223.040 9375.0 3 237.120 9375.0 3 243.177 59375.0 19 253.120 90625.0 29 255.040 12500.0 4 261.120 12500.0 4 271.192 381250.0 123 289.040 6250.0 2 297.040 37500.0 12 297.440 18750.0 6 315.119 1021875.0 329 333.113 3100000.0 999 //