MassBank Get Record By Accession
Retrieve a complete MassBank Europe spectrum record by its accession identifier. Returns the full record: title, acquisition parameters (instrument type, MS level, ionization mode, collision energy, precursor type/adduct), the compound block (names/synonyms, molecular formula, exact monoisotopic mass, SMILES, InChI), spectral peaks with the SPLASH hash, and cross-references to external databases (CAS, CHEBI, KEGG, PubChem). Use this to resolve an accession returned by MassBank_spectral_similari…
Overview
Retrieve a complete MassBank Europe spectrum record by its accession identifier. Returns the full record: title, acquisition parameters (instrument type, MS level, ionization mode, collision energy, precursor type/adduct), the compound block (names/synonyms, molecular formula, exact monoisotopic mass, SMILES, InChI), spectral peaks with the SPLASH hash, and cross-references to external databases (CAS, CHEBI, KEGG, PubChem). Use this to resolve an accession returned by MassBank_spectral_similarity_search, MassBank_search_records_advanced, or MassBank_search_by_compound into a full annotated spectrum. Example: MSBNK-Athens_Univ-AU276601 returns Caffeine (formula C8H10N4O2, mass 194.0803756), LC-ESI-QTOF, MS2, [M+H]+, with links to CAS 58-08-2 and CHEBI:27732.
Schema
JSON Schema the agent (or your API call) must match.
View JSON schemaExpandCollapse
Examples (1)
Default MassBank Get Record By Accession call
Public-safe example · rate-limited
Identifiers
- Catalog ID
- tu_MassBank_get_record_by_accession
- Tool name
- MassBank_get_record_by_accession
- Added
- 2026-07-29 18:13Z
- Tags
- tooluniverse