Metabolomics activity screening
Liquid  chromatography high-resolution mass spectrometry (LC-MS) is well-suited to metabolomic analyses, because it has high sensitivity, specificity, and reproducibility. It enables a broad statistical assessment of the metabolites extracted from a sample, and can be used to reveal unanticipated metabolic perturbations.

Data-processing packages
There are numerous commercial and freely available data-processing packages, such as XCMS Online, Mzmine, and MetaboAnalyst, that can be applied to analyze LC-MS data. These suites of algorithms can identify chromatographic peaks, align them, and then statistically assess the comparative data, based on  calculated  probability,  fold  change,  and  intensity.

Metabolites databases
Metabolites that  are  differentially  regulated  can  be  identified  using  databases (e.g., METLIN (https://metlin.scripps.edu), the human metabolome database (HMDB; http://www.hmdb.ca), and LIPID MAPS; http://www.lipidmaps.org/)