Overview
MetaboAnnotation supports mass matching, matching with retention times and spectral-library comparisons, with data objects that retain query-reference relationships.
What can this tool do?
Common uses
- Create tentative annotations from reference masses.
- Manage spectral matches within a Spectra-based workflow.
Scientific fit
Primary function
Metabolite annotation and identification
Data compatibility
Inputs
Feature or peak table, Mass spectra, Spectral library
Outputs
Compound list or annotations
Input formats
Other, R feature tables, Spectra and reference objects
Output formats
Other, Matched query-reference objects
Scope and considerations
Designed for
- Create tentative annotations from reference masses.
Not designed for
- Guaranteeing structural identity from a mass match.
Important requirements
- R/Bioconductor, query features or spectra, and suitable reference data.
Considerations
- Use retention information only when analytically comparable; report matching thresholds and evidence levels.
Access and documentation
Artistic-2.0 package; reference-data licensing is separate.
Evidence and review
Documentation-based editorial review on 7 September 2026. Scope and limitations summarize the linked official sources; software execution and developer verification were not assessed.
No dedicated scholarly publication is listed. Follow the official documentation and resource-specific citation guidance.
Software and documentation citations
- MetaboAnnotation developers. MetaboAnnotation: Utilities for Annotation of Metabolomics Data. Bioconductor package record. doi:10.18129/B9.bioc.MetaboAnnotation
Related tools
Entry history
Changes to this catalogue entry, not the tool's software release history. Acceptance and editorial review are separate.
- 2026-09-08 · Entry update
Audit core publications across existing tools
View change · Entry at this revision - 2026-09-07 · First committed entry
Add 50 documented metabolomics resources
View change · Entry at this revision