MassBank Record: UT000302



 LTB5; LC-ESI-QIT; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000302
RECORD_TITLE: LTB5; LC-ESI-QIT; MS2; CE:30 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 30 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$SPLASH: splash10-0002-0912000000-00b3332ca1c15daab105 PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 70.320 15625.0 16 93.040 15625.0 16 106.980 15625.0 16 109.040 75000.0 79 111.080 12500.0 13 118.960 9375.0 10 122.960 65625.0 69 129.015 84375.0 88 133.040 6250.0 7 141.040 9375.0 10 147.160 9375.0 10 151.110 203125.0 213 155.120 18750.0 20 159.120 9375.0 10 161.143 225000.0 236 163.120 21875.0 23 173.084 65625.0 69 173.440 9375.0 10 175.120 6250.0 7 176.967 59375.0 62 177.120 59375.0 62 179.120 50000.0 52 181.068 143750.0 151 185.040 9375.0 10 189.040 6250.0 7 195.090 953125.0 999 195.440 12500.0 13 201.142 112500.0 118 205.107 40625.0 43 217.120 9375.0 10 243.200 31250.0 33 253.120 25000.0 26 271.154 131250.0 138 297.067 56250.0 59 315.118 221875.0 233 333.153 328125.0 344 //