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JXB Advance Access published online on November 1, 2004
Journal of Experimental Botany, doi:10.1093/jxb/eri010
© 2004 by Oxford University Press
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Received May 20, 2004
Accepted August 31, 2004

Metabolomics and Metabolic Profiling Special Issue Article

Metabolite fingerprinting and profiling in plants using NMR

P. Krishnan 1, N. J. Kruger 2, and R. G. Ratcliffe 2*

1 Department of Plant Sciences, University of Oxford, South Parks Road, Oxford OX1 3RB, UK; Division of Biochemistry, Plant Physiology, and Environmental Sciences, Central Rice Research Institute, Cuttack (Orissa) 753 006, India
2 Department of Plant Sciences, University of Oxford, South Parks Road, Oxford OX1 3RB, UK

* To whom correspondence should be addressed.
R. G. Ratcliffe, E-mail: george.ratcliffe{at}plants.ox.ac.uk


  Abstract

Although less sensitive than mass spectrometry (MS), nuclear magnetic resonance (NMR) spectroscopy provides a powerful complementary technique for the identification and quantitative analysis of plant metabolites either in vivo or in tissue extracts. In one approach, metabolite fingerprinting, multivariate analysis of unassigned 1H NMR spectra is used to compare the overall metabolic composition of wild-type, mutant, and transgenic plant material, and to assess the impact of stress conditions on the plant metabolome. Metabolite fingerprinting by NMR is a fast, convenient, and effective tool for discriminating between groups of related samples and it identifies the most important regions of the spectrum for further analysis. In a second approach, metabolite profiling, the 1H NMR spectra of tissue extracts are assigned, a process that typically identifies 20-40 metabolites in an unfractionated extract. These profiles may also be used to compare groups of samples, and significant differences in metabolite concentrations provide the basis for hypotheses on the underlying causes for the observed segregation of the groups. Both approaches generate a metabolic phenotype for a plant, based on a system-wide but incomplete analysis of the plant metabolome. However, a review of the literature suggests that the emphasis so far has been on the accumulation of analytical data and sample classification, and that the potential of 1H NMR spectroscopy as a tool for probing the operation of metabolic networks, or as a functional genomics tool for identifying gene function, is largely untapped.

Keywords: 1H NMR; mass spectrometry; metabolic phenotype; metabolite fingerprinting; metabolite profiling; metabolomics; nuclear magnetic resonance spectroscopy; plant metabolism.
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