Overview
GNPS2 Reverse Metabolomics links MASST spectral matches to public sample metadata. It helps investigate the recorded contexts of a spectrum through heatmaps and tables. This Tool is the hosted implementation; the separate Reverse metabolomics Strategy describes the broader experimental approach.
What can this tool do?
Common uses
- Explore organisms, tissues or biofluids associated with spectral matches.
- Compare match distributions across metadata categories.
Scientific fit
Primary function
Reference data and database search
Data compatibility
Inputs
Mass spectra
Outputs
Sample metadata, Human-readable report
Input formats
Universal Spectrum Identifiers (USIs) for MS/MS spectra
Output formats
CSV or TSV, PNG heatmaps
Scope and considerations
Designed for
- Repository-scale context searching from annotated or unannotated MS/MS spectra.
Not designed for
- Direct structure-string searching or proof of biological production.
Important requirements
- Resolvable MS/MS USIs and suitable MASST search parameters.
Considerations
- Matches reflect spectral similarity and available metadata, not confirmed identity or origin.
- Repository sampling is uneven; absence of a match does not establish biological absence.
- ReDU-normalized counts adjust for reference sampling but do not remove every source of bias.
Access and documentation
Publicly hosted MetaboApp. GNPS2 infrastructure is open to the academic community; its documentation directs industry users to the maintainers or UCR Technology Transfer. Hosted access does not establish a software or reference-data license.
Evidence and review
Reviewed against the linked official app documentation on 2026-09-10. No standalone publication for this particular app was verified; the documentation citation identifies the reviewed implementation. Underlying method and application papers are not presented as dedicated app papers. No analysis job or independent benchmark was run; no developer verification is claimed.
No dedicated scholarly publication is listed. Follow the official documentation and resource-specific citation guidance.
Software and documentation citations
- GNPS2 Documentation. GNPS2 Reverse Metabolomics. Accessed 10 September 2026. Documentation
Related tools
Entry history
Changes to this catalogue entry, not the tool's software release history. Acceptance and editorial review are separate.
- 2026-09-10 · First committed entry
Add curated MassQL and reverse-metabolomics apps
View change · Entry at this revision