Principles of NMR for applications in metabolomics

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

5 Scopus citations


In this chapter, the basic principles of high-resolution NMR relevant to metabolomics are reviewed, with an emphasis on practical aspects of experimental design, execution, and interpretation of the spectral data. This includes one- and two-dimensional NMR with isotope-editing techniques for metabolite identification, quantification, and positional isotopomer analysis. The principles of isotopomer analysis by NMR for pathway determination and flux analysis are introduced. These principles are illustrated with particular examples of simplified mixtures of common metabolites. Advanced approaches for speeding data acquisition, as well as additional experiments including prospects for three-dimensional NMR for ab initio identification of unknown metabolites, especially if metabolically labeled, are introduced.

Original languageEnglish
Title of host publicationThe Handbook of Metabolomics
EditorsTeresa Whei-Mei Fan, Richard Higashi, Andrew Lane
Number of pages71
StatePublished - 2012

Publication series

NameMethods in Pharmacology and Toxicology
ISSN (Print)1557-2153
ISSN (Electronic)1940-6053


  • High resolution NMR
  • Metabolic pathways
  • Positional isotopomer analysis
  • Stable isotope editing

ASJC Scopus subject areas

  • Molecular Medicine
  • Pharmacology, Toxicology and Pharmaceutics (all)
  • Pharmacology (medical)


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