LBF18203HP03

From Metabolomics.JP
(Difference between revisions)
Jump to: navigation, search
 
 
Line 1: Line 1:
 +
{{Hierarchy|{{PAGENAME}}}}
 +
 
{{Metabolite
 
{{Metabolite
 
|LipidBank=DFA8059
 
|LipidBank=DFA8059

Latest revision as of 09:00, 1 October 2008



Upper classes



LBF18203HP03.png
Structural Information
Systematic Name Methyl-13,15-Epidioxy-12-Hydroperoxy-9,16-Octadecadienoate
Common Name
Symbol
Formula C19H32O6
Exact Mass 356.219888756
Average Mass 356.45378
SMILES C(O1)(CC(C=CC)O1)C(OO)CC=CCCCCCCCC(=O)OC
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra GC-EI-MS(after reduction(PH3P) and TMS-derivatization)<<8084>>: m/e=307[M-CH3- HOTMS]; 299[SMTO=CHCH2CH=CH(CH2)7COOCH3]; 113[M-299]; GC-EI-MS(after reduction, hydrogenation and TMS-derivatization)<<8084>>: m/e=457[M-CH3-HOTMS]
UV Spectra
IR Spectra OOH GROUP: 3660-3150cm-1[bonded], 3520cm-1[free]; olefinic protons: 3020-3002cm-1; isolated trans unsaturation: 960cm-1<<8084>>
NMR Spectra 1H-NMR<<8084>>
Chromatograms




Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox