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Phytochemistry. 2009 Mar;70(4):450-6. doi: 10.1016/j.phytochem.2009.02.004. Epub 2009 Mar 13.

Web-based resources for mass-spectrometry-based metabolomics: a user's guide.

Author information

1
Max-Planck-Institut für Molekulare Pflanzenphysiologie, Am Mühlenberg 1, 14476 Potsdam-Golm, Germany. tohge@mpimp-golm.mpg.de

Abstract

In recent years, a plethora of web-based tools aimed at supporting mass-spectrometry-based metabolite profiling and metabolomics applications have appeared. Given the huge hurdles presented by the chemical diversity and dynamic range of the metabolites present in the plant kingdom, profiling the levels of a broad range of metabolites is highly challenging. Given the scale and costs involved in defining the plant metabolome, it is imperative that data are effectively shared between laboratories pursuing this goal. However, ensuring accurate comparison of samples run on the same machine within the same laboratory, let alone cross-machine and cross-laboratory comparisons, requires both careful experimentation and data interpretation. In this review, we present an overview of currently available software that aids either in peak identification or in the related field of peak alignment as well as those with utility in defining structural information of compounds and metabolic pathways.

PMID:
19285697
DOI:
10.1016/j.phytochem.2009.02.004
[Indexed for MEDLINE]

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