Metabolomics Analysis Tools
See below for analysis tools including different online tool suites, R packages and other downloadable programs
apLCMS–adaptive processing of high-resolution LC/MS raw data to generate feature table
xMSanalyzer–automated pipeline for improved feature detection and downstream analysis of large-scale, non-targeted metabolomics data
ComBat–batch-effect correction if identified via Principle Components Analysis
- Multiple R packages contain the methods of ComBat as described in Johnson et al. 2007 Biostatistics
xmsPANDA–targeted and untargeted MWAS (to be released)
MetaboAnalyst–online tool suite for metabolomics data analysis including statistical, time-series, and biomarker analysis
MetabNet–network analysis tool
Mummichog–pathway and network analysis for high-throughput metabolomics
METLIN–annotation of metabolites and prediction tool for known metabolites
MetaCore–data mining and pathway analysis (purchase necessary)
DeconMSn–MS/MS validation and deconvolution
MassBank–metabolite prediction tool based on MS/MS for both known and unknown features