Automated Label-free Quantification of Metabolites from Liquid Chromatography–Mass Spectrometry Data*


Liquid chromatography coupled to mass spectrometry (LC-MS) has become a standard technology in metabolomics. In particular, label-free quantification based on LC-MS is easily amenable to large-scale studies and thus well suited to clinical metabolomics. Large-scale studies, however, require automated processing of the large and complex LC-MS datasets. We… (More)
DOI: 10.1074/mcp.M113.031278