A Protocol to Compare Methods for Untargeted Metabolomics

Methods in Molecular Biology
Lingjue WangGary J Patti

Abstract

There are thousands of published methods for profiling metabolites with liquid chromatography/mass spectrometry (LC/MS). While many have been evaluated and optimized for a small number of select metabolites, very few have been assessed on the basis of global metabolite coverage. Thus, when performing untargeted metabolomics, researchers often question which combination of extraction techniques, chromatographic separations, and mass spectrometers is best for global profiling. Method comparisons are complicated because thousands of LC/MS signals (so-called features) in a typical untargeted metabolomic experiment cannot be readily identified with current resources. It is therefore challenging to distinguish methods that increase signal number due to improved metabolite coverage from methods that increase signal number due to contamination and artifacts. Here, we present the credentialing protocol to remove the latter from untargeted metabolomic datasets without having to identify metabolite structures. This protocol can be used to compare or optimize methods pertaining to any step of the untargeted metabolomic workflow (e.g., extraction, chromatography, mass spectrometer, informatic software, etc.).

Citations

Apr 5, 2020·Metabolomics : Official Journal of the Metabolomic Society·Ken ChengRikard Landberg

Related Concepts

Chromatography
Diagnostic Techniques, Surgical
Research Personnel
Computer Software
Extraction
Structure
Research Study
Metabolite
Liquid Chromatography Mass Spectrometry
Metabolomics

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