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

Dona, AC; Kyriakides, M; Scott, F; Shephard, EA; Varshavi, D; Veselkov, K; Everett, JR; (2016) A guide to the identification of metabolites in NMR-based metabonomics/metabolomics experiments. Computational and Structural Biotechnology Journal 10.1016/j.csbj.2016.02.005. Green open access

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Abstract

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.

Type: Article
Title: A guide to the identification of metabolites in NMR-based metabonomics/metabolomics experiments
Open access status: An open access version is available from UCL Discovery
DOI: 10.1016/j.csbj.2016.02.005
Publisher version: http://dx.doi.org/10.1016/j.csbj.2016.02.005
Language: English
Additional information: This work is licensed under a Creative Commons Attribution 4.0 International License (https://creativecommons.org/licenses/by/4.0/).
Keywords: nuclear magnetic resonance (NMR) spectroscopy; metabolite identification; molecular structure; metabonomics; metabolomics
UCL classification: UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences > Div of Biosciences
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences > Div of Biosciences > Structural and Molecular Biology
URI: http://discovery.ucl.ac.uk/id/eprint/1476364
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