MassBank Record: UT000004



 11,12-EET; LC-ESI-QIT; MS2; CE:35 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000004
RECORD_TITLE: 11,12-EET; 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$NAME: 11,12-EET CH$NAME: 11,12-epoxy-5Z,8Z,14Z-eicosatrienoic acid CH$NAME: (5Z,8Z,11R,12S,14Z)-11,12-Epoxy-5,8,14-icosatrienoic acid CH$NAME: (+-)11(12)-EpETrE CH$COMPOUND_CLASS: Natural Product; Lipid; Eicosanoid CH$FORMULA: C20H32O3 CH$EXACT_MASS: 320.23514 CH$SMILES: CCCCCC=CCC(O1)C(CC=CCC=CCCCC(O)=O)1 CH$IUPAC: InChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/b8-6-,12-9-,13-10- CH$LINK: CAYMAN 55051 CH$LINK: LIPIDBANK XPR6302 CH$LINK: NIKKAJI J428.163B
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: splash10-014j-0933000000-69a896507fa7ffb4648e PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 147.120 8333.3 143 148.960 29166.7 500 149.138 50000.0 856 159.040 12500.0 214 163.040 16666.7 285 167.120 50000.0 856 181.040 12500.0 214 203.080 12500.0 214 221.120 8333.3 143 255.040 8333.3 143 257.200 29166.7 500 275.220 12500.0 214 301.200 20833.3 357 319.080 58333.3 999 //