GNPS Get Library Record
Retrieve a full GNPS library reference spectrum record by its SpectrumID / CCMSLIB accession. GNPS (Global Natural Products Social Molecular Networking) hosts the world's largest community-curated MS/MS reference spectral library. Returns the compound annotation: Compound_Name, Adduct, SMILES, InChI/InChIKey, Ion_Source, Instrument, ionization mode, precursor m/z, charge, contributing PI, library membership (e.g. GNPS-LIBRARY), CAS, and PubMed id. Use this to resolve a CCMSLIB accession (e.g. f…
Overview
Retrieve a full GNPS library reference spectrum record by its SpectrumID / CCMSLIB accession. GNPS (Global Natural Products Social Molecular Networking) hosts the world's largest community-curated MS/MS reference spectral library. Returns the compound annotation: Compound_Name, Adduct, SMILES, InChI/InChIKey, Ion_Source, Instrument, ionization mode, precursor m/z, charge, contributing PI, library membership (e.g. GNPS-LIBRARY), CAS, and PubMed id. Use this to resolve a CCMSLIB accession (e.g. from a molecular-networking hit) into its annotated reference compound. Example: CCMSLIB00005435737 -> Compound_Name 'Lovastatin M+H; Mevinolin annotated in standard', Adduct M+H, library GNPS-LIBRARY; CCMSLIB00000001547 -> '3-Des-Microcystein_LR'.
Schema
JSON Schema the agent (or your API call) must match.
Examples (1)
Default GNPS Get Library Record call
Anonymous-safe example. Rate-limited; no sign-in required.
Identifiers
- Catalog ID
- tu_GNPS_get_library_record
- Tool name
- GNPS_get_library_record
- Added
- 2026-07-29 18:13Z
- Tags
- tooluniverse