Overview
Multi-step MassQL applies successive fragmentation rules to spectra from a GNPS2 networking task. The documented app is configured for bile-acid classification, with a classification tree and result tables for inspecting individual features.
What can this tool do?
Common uses
- Apply consistent bile-acid query logic across processed datasets.
- Inspect alternative classifications for a feature.
Scientific fit
Primary function
Spectral processing and comparison
Data compatibility
Inputs
Mass spectra
Outputs
Compound list or annotations, Human-readable report
Input formats
Public GNPS2 CMN/FBMN task ID
Output formats
Interactive classification tree and result tables
Scope and considerations
Designed for
- Bile-acid-focused analysis of completed molecular-networking results.
Not designed for
- A general-purpose sequential-query interface for arbitrary metabolite classes.
- Unqualified confirmation of stereochemistry from every matching spectrum.
Important requirements
- A completed, public GNPS2 CMN or FBMN task containing relevant MS/MS spectra.
Considerations
- Current documentation limits the app to bile acids; broader classes are described as future work.
- Mixed spectra can satisfy multiple classifications. Inspect the evidence behind each assignment.
- The app uses preconfigured queries; document the application version and upstream task when reporting results.
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. Multi-step MassQL. 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