Untargeted large-scale plant metabolomics using liquid chromatography coupled to mass spectrometry View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2007-04-05

AUTHORS

Ric CH De Vos, Sofia Moco, Arjen Lommen, Joost JB Keurentjes, Raoul J Bino, Robert D Hall

ABSTRACT

Untargeted metabolomics aims to gather information on as many metabolites as possible in biological systems by taking into account all information present in the data sets. Here we describe a detailed protocol for large-scale untargeted metabolomics of plant tissues, based on reversed phase liquid chromatography coupled to high-resolution mass spectrometry (LC-QTOF MS) of aqueous methanol extracts. Dedicated software, MetAlign, is used for automated baseline correction and alignment of all extracted mass peaks across all samples, producing detailed information on the relative abundance of thousands of mass signals representing hundreds of metabolites. Subsequent statistics and bioinformatics tools can be used to provide a detailed view on the differences and similarities between (groups of) samples or to link metabolomics data to other systems biology information, genetic markers and/or specific quality parameters. The complete procedure from metabolite extraction to assembly of a data matrix with aligned mass signal intensities takes about 6 days for 50 samples. More... »

PAGES

778-791

Identifiers

URI

http://scigraph.springernature.com/pub.10.1038/nprot.2007.95

DOI

http://dx.doi.org/10.1038/nprot.2007.95

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1029308877

PUBMED

https://www.ncbi.nlm.nih.gov/pubmed/17446877


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