Overview
Understanding metabolism is fundamental in biomedical and plant research and the identification and quantification of thousands of metabolites by mass spectrometry in modern metabolomics is a prerequisite for elucidating this area. However, the identification of metabolites is a major bottleneck in traditional approaches hampering advances. Here, we present a novel approach for the untargeted discovery of metabolite families offering a bird’s eye view of metabolic regulation in comparative metabolomics. We implemented the presented methodology in the easy-to-use web application MetFamily to enable the analysis of comprehensive metabolomics studies for all researchers worldwide.
Using MetFamily
The MetFamily web application is available at https://msbi.ipb-halle.de/MetFamilyDevel/.
It runs inside a Kubernetes cluster at the Leibniz Institute of Plant Biochemistry (IPB).
The release version described in Treutler et al., 2016 is hosted at https://msbi.ipb-halle.de/MetFamily/.
Local installation of the R Package
The MetFamily R package can be installed using:
remotes::install_github("ipb-halle/MetFamily")After installation, you can run the interactive application locally:
library(MetFamily)
runMetFamily()Or use an R script to process your analysis. See our vignette Discovering regulated Metabolite Families.