MassBank Record: UT000141



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

ACCESSION: UT000141
RECORD_TITLE: 18-HEPE; 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$NAME: 18-HEPE CH$NAME: 18-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid CH$NAME: (+-)18-HEPE CH$COMPOUND_CLASS: Natural Product; Lipid; Fatty acid CH$FORMULA: C20H30O3 CH$EXACT_MASS: 318.21949 CH$SMILES: CCC(O)C=CC=CCC=CCC=CCC=CCCCC(O)=O CH$IUPAC: InChI=1S/C20H30O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,15,17,19,21H,2-3,8-9,14,16,18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-,17-15+ CH$LINK: CAS 141110-17-0 CH$LINK: CAYMAN 32840
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: splash10-014i-0249000000-a1dbeae055967ca74b47 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 97.040 6250.0 16 118.960 6250.0 16 146.880 9375.0 24 160.960 9375.0 24 161.120 21875.0 56 167.040 6250.0 16 167.200 6250.0 16 173.040 12500.0 32 173.200 9375.0 24 187.040 12500.0 32 189.040 9375.0 24 189.200 9375.0 24 215.040 15625.0 40 215.227 40625.0 105 221.120 15625.0 40 254.960 12500.0 32 255.120 40625.0 105 258.880 9375.0 24 259.040 12500.0 32 273.240 12500.0 32 299.150 28125.0 73 317.210 387500.0 999 317.600 12500.0 32 //