metabolomics-workbench-database

To standardize metabolite names to RefMet, you query the Metabolomics Workbench REST API to match common chemical names against the RefMet canonical naming system and retrieve standardized identifiers. This eliminates inconsistent nomenclature across public NIH metabolomics studies.

Yes, you can perform adduct-aware m/z searches by querying the moverz mass-tolerance endpoint in the Metabolomics Workbench API. You specify the mass-to-charge ratio, adduct type, and tolerance to generate a candidate compound list from mass spectrometry data.

You retrieve study metadata and experimental data by searching the Metabolomics Workbench REST API with filters like species, disease, or analytical method. The API supports downloading full experimental datasets in mwTab or JSON format for further analysis.

RefMet standardization is the process of mapping common metabolite names to canonical identifiers within the NIH metabolomics framework. You need it for compound identification when cross-referencing metabolites across different public studies to resolve naming inconsistencies.

Yes, the Metabolomics Workbench API provides gene and protein annotations alongside gene-metabolite associations. You can fetch these cross-references to support pathway analysis or mechanistic follow-up for metabolites identified in NIH public studies.

You download compound structures and MOL files by querying the Metabolomics Workbench API with identifiers like InChIKey or PubChem CID. The API returns detailed compound records and provides direct access to structure images and MOL file downloads.