MassBank Search Records Advanced
Filtered search of the MassBank Europe spectral library using one or more criteria combined as AND filters. Filters: exact_mass (+ mass_tolerance in Da), peaks (m/z fragment peak), neutral_loss (m/z difference), ion_mode (POSITIVE/NEGATIVE), ms_type (MS, MS2, MS3), instrument_type, substructure (SMILES/SMARTS substructure match), contributor, and compound_class. Returns matching MassBank accessions; resolve each to a full annotated spectrum with MassBank_get_record_by_accession. Useful for narr…
Overview
Filtered search of the MassBank Europe spectral library using one or more criteria combined as AND filters. Filters: exact_mass (+ mass_tolerance in Da), peaks (m/z fragment peak), neutral_loss (m/z difference), ion_mode (POSITIVE/NEGATIVE), ms_type (MS, MS2, MS3), instrument_type, substructure (SMILES/SMARTS substructure match), contributor, and compound_class. Returns matching MassBank accessions; resolve each to a full annotated spectrum with MassBank_get_record_by_accession. Useful for narrowing candidate spectra when you know a compound's mass, a diagnostic fragment, a neutral-loss, or a structural motif. Examples (vs ~139006 total records, proving each filters): exact_mass=194.0804 & mass_tolerance=0.005 -> 182; peaks=138.0661 -> 4141; ion_mode=POSITIVE -> 97745; ms_type=MS2 & ion_mode=NEGATIVE -> 38390; substructure=c1ccccc1 -> 81644; neutral_loss=18.0106 -> 9911.
Schema
JSON Schema the agent (or your API call) must match.
View JSON schemaExpandCollapse
Examples (1)
Default MassBank Search Records Advanced call
Public-safe example · rate-limited
Identifiers
- Catalog ID
- tu_MassBank_search_records_advanced
- Tool name
- MassBank_search_records_advanced
- Added
- 2026-07-29 18:13Z
- Tags
- tooluniverse