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Title: Emerging New Strategies for Successful Metabolite Identification in Metabolomics

NMR is a very powerful tool for the identification of known and unknown (or unnamed) metabolites in complex mixtures as encountered in metabolomics. Known compounds can be reliably identified using 2D NMR methods, such as 13C-1H HSQC, for which powerful web servers with databases are available for semi-automated analysis. For the identification of unknown compounds, new combinations of NMR with MS have been developed recently that make synergistic use of the mutual strengths of the two techniques. The use of chemical additives to the NMR tube, such as reactive agents, paramagnetic ions, or charged silica nanoparticles, permit the identification of metabolites with specific physical chemical properties. In the following sections, we give an overview of some of the recent advances in metabolite identification and discuss remaining challenges.
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Publication Date:
OSTI Identifier:
Report Number(s):
Journal ID: ISSN 1757-6180
DOE Contract Number:
Resource Type:
Journal Article
Resource Relation:
Journal Name: Bioanalysis; Journal Volume: 8; Journal Issue: 6
Future Science Group
Research Org:
Pacific Northwest National Laboratory (PNNL), Richland, WA (US)
Sponsoring Org:
Country of Publication:
United States