R/Bioconductor package - STRUCT (STatistics in R Using Class Templates) Toolbox: An extensive set of data (pre-)processing and analysis methods and tools for metabolomics and other omics,

R/Bioconductor package - STRUCT: STatistics in R Using Class Templates

Galaxy tools for msPurity package: includes precursor ion purity calculations and spectral matching

R/Bioconductor package - Peak Matrix Processing and signal batch correction for metabolomics data sets