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(13)C NMR Metabolomics: INADEQUATE Network Analysis.

The many advantages of (13)C NMR are often overshadowed by its intrinsically low sensitivity. Given that carbon makes up the backbone of most biologically relevant molecules, (13)C NMR offers a straightforward measurement of these compounds. Two-dimensional (13)C-(13)C correlation experiments like I... Full description

Journal Title: Analytical chemistry June 2, 2015, Vol.87(11), pp.5698-5706
Main Author: Clendinen, Chaevien S
Other Authors: Pasquel, Christian , Ajredini, Ramadan , Edison, Arthur S
Format: Electronic Article Electronic Article
Language: English
Subjects:
ID: E-ISSN: 1520-6882 ; DOI: 10.1021/acs.analchem.5b00867
Link: http://search.proquest.com/docview/1685748670/?pq-origsite=primo
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title: (13)C NMR Metabolomics: INADEQUATE Network Analysis.
format: Article
creator:
  • Clendinen, Chaevien S
  • Pasquel, Christian
  • Ajredini, Ramadan
  • Edison, Arthur S
subjects:
  • Animals–Metabolism
  • Caenorhabditis Elegans–Analysis
  • Carbon Isotopes–Methods
  • Magnetic Resonance Spectroscopy–Methods
  • Metabolomics–Methods
  • Carbon Isotopes
ispartof: Analytical chemistry, June 2, 2015, Vol.87(11), pp.5698-5706
description: The many advantages of (13)C NMR are often overshadowed by its intrinsically low sensitivity. Given that carbon makes up the backbone of most biologically relevant molecules, (13)C NMR offers a straightforward measurement of these compounds. Two-dimensional (13)C-(13)C 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.
language: eng
source:
identifier: E-ISSN: 1520-6882 ; DOI: 10.1021/acs.analchem.5b00867
fulltext: fulltext
issn:
  • 15206882
  • 1520-6882
url: Link


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title(13)C NMR Metabolomics: INADEQUATE Network Analysis.
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identifierE-ISSN: 1520-6882 ; DOI: 10.1021/acs.analchem.5b00867
subjectAnimals–Metabolism ; Caenorhabditis Elegans–Analysis ; Carbon Isotopes–Methods ; Magnetic Resonance Spectroscopy–Methods ; Metabolomics–Methods ; Carbon Isotopes
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descriptionThe many advantages of (13)C NMR are often overshadowed by its intrinsically low sensitivity. Given that carbon makes up the backbone of most biologically relevant molecules, (13)C NMR offers a straightforward measurement of these compounds. Two-dimensional (13)C-(13)C 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.
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