metabolomics-workbench-lookup

Queries the read-only NIH Metabolomics Workbench REST interface at UC San Diego. Maps metabolite synonyms to standardized RefMet names, retrieves compound records with formulas, exact masses, cross-database identifiers, SMILES, MOL files and structure images, filters deposited studies by metabolite, species, disease, sample source, platform, polarity and chromatography, downloads study summaries, factors, metabolite lists, result tables and archival mwTab files, searches measured precursor ion masses by adduct and tolerance across three compound databases, predicts an ion m/z for a named metabolite and adduct, and fetches metabolism-related gene and protein records including amino-acid sequences. Use when the user needs RefMet name mapping, compound identifier or structure lookups, study discovery by disease or species, or candidate identities for a measured m/z value. Not for submitting or editing repository data, statistical analysis, or non-public endpoints.

Version

v1.0.0

Size

16 KB

Updated

2026-10-11

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