MassBank Record: UT000303



 LTB5; LC-ESI-QIT; MS2; CE:35 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000303
RECORD_TITLE: LTB5; 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$NAME: LTB5 CH$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 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$SPLASH: splash10-0gwb-0911000000-58f74003122760d3bd4d PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 70.880 6250.0 34 71.120 9375.0 52 93.040 9375.0 52 107.040 9375.0 52 108.960 40625.0 224 110.960 9375.0 52 118.960 6250.0 34 123.120 56250.0 310 128.993 53125.0 293 132.960 6250.0 34 135.040 9375.0 52 147.120 18750.0 103 151.109 90625.0 500 154.960 12500.0 69 155.200 6250.0 34 159.010 28125.0 155 161.050 93750.0 517 172.960 9375.0 52 173.200 12500.0 69 177.040 15625.0 86 179.120 12500.0 69 181.120 71875.0 396 195.040 181250.0 999 201.040 18750.0 103 201.200 31250.0 172 205.063 12500.0 69 243.147 12500.0 69 271.160 12500.0 69 297.080 12500.0 69 315.067 56250.0 310 332.980 40625.0 224 //