Metabolomics, the global analysis of low molecular weight compounds in complex biological systems, has become a powerful and widely applied approach for studying metabolism in diverse applications including in disease, biomarker identification, drug discovery, and microbial interactions . The key advantage of metabolomics is its ability to measure the global chemical complexity of a system, rather than focussing on individual components. However, metabolomics is uniquely challenging compared to other omics methods such as genomics or proteomics, due to the extreme chemical diversity of the metabolites.