RefMet

The main objective of RefMet is to provide a standardized reference nomenclature for both discrete metabolite structures and metabolite species identified by spectroscopic techniques in metabolomics experiments. This is an essential prerequisite for the ability to compare and contrast metabolite data across different experiments and studies. In addition, many metabolite species, especially lipids, are not reported by MS methods as discrete structures but rather as isobaric mixtures (such as PC 34:1 and TG 54:2). To this end, the Metabolomics Workbench’s National Metabolomics Data Repository (NMDR) comprised of over 300,000 names from over 1,500 MS and NMR studies has been leveraged to generate a highly curated analytical chemistry-centric list of common names for metabolite structures and isobaric species. A name-conversion user interface is provided where users can submit a list of metabolite names and map them to the corresponding Refmet names. RefMet has been linked to a metabolite classification system, with numerous positive outcomes including data-sharing potential, facilitation of meta-analysis across studies, and integrated statistical analysis. RefMet is composed of four groups of annotations based on confidence level of structural assignment.