Title
13C NMR metabolomics: INADEQUATE network analysis
Date Issued
02 June 2015
Access level
open access
Resource Type
journal article
Author(s)
Wolfram Research South America
Publisher(s)
American Chemical Society
Abstract
The many advantages of 13C NMR are often overshadowed by its intrinsically low sensitivity. Given that carbon makes up the backbone of most biologically relevant molecules, 13C NMR offers a straightforward measurement of these compounds. Two-dimensional 13C-13C correlation experiments like INADEQUATE (incredible natural abundance double quantum transfer experiment) are ideal for the structural elucidation of natural products and have great but untapped potential for metabolomics analysis. We demonstrate a new and semiautomated approach called INETA (INADEQUATE network analysis) for the untargeted analysis of INADEQUATE data sets using an in silico INADEQUATE database. We demonstrate this approach using isotopically labeled Caenorhabditis elegans mixtures.
Start page
5698
End page
5706
Volume
87
Issue
11
Language
English
OCDE Knowledge area
Ingeniería química
Scopus EID
2-s2.0-84930677259
PubMed ID
Source
Analytical Chemistry
ISSN of the container
00032700
Sponsor(s)
National Institute of Diabetes and Digestive and Kidney Diseases
U24DK097209 NIDDK
Sources of information:
Directorio de Producción Científica
Scopus