A guide to the identification of metabolites in NMR-based metabonomics/metabolomics experiments

Computational and Structural Biotechnology Journal

Kirill Veselkov¹  Michael Kyriakides¹  Anthony C. Dona¹  Elizabeth A. Shephard²  Flora Scott²  Dorsa Varshavi³  Jeremy R. Everett³ 

[1] Department of Surgery and Cancer, Faculty of Medicine, Imperial College London, SW7 2AZ, United Kingdom;Institute of Structural and Molecular Biology, University College London, London WC1E 6BT, United Kingdom;Medway Metabonomics Research Group, University of Greenwich, Chatham Maritime, Kent ME4 4TB, United Kingdom;

关键词: Nuclear magnetic resonance (NMR) spectroscopy;    Metabolite identification;    Molecular structure;    Metabonomics;    Metabolomics;   

DOI  :  10.1016/j.csbj.2016.02.005

来源: DOAJ

【 摘 要 】

Metabonomics/metabolomics is an important science for the understanding of biological systems and the prediction of their behaviour, through the profiling of metabolites. Two technologies are routinely used in order to analyse metabolite profiles in biological fluids: nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS), the latter typically with hyphenation to a chromatography system such as liquid chromatography (LC), in a configuration known as LC–MS. With both NMR and MS-based detection technologies, the identification of the metabolites in the biological sample remains a significant obstacle and bottleneck. This article provides guidance on methods for metabolite identification in biological fluids using NMR spectroscopy, and is illustrated with examples from recent studies on mice.

【 授权许可】

Unknown