Spectral processing and comparison

PostMN MassQL

Run MassQL chemical-pattern queries directly on consensus spectra produced by GNPS molecular networking.

LC-MSWeb applicationFree web service

Overview

PostMN MassQL searches the processed spectra from a completed GNPS2 networking job. Researchers can select, edit or write fragmentation-pattern queries and inspect which spectra satisfy them, alongside available library annotations.

What can this tool do?

MS/MS processingProvenance tracking

Common uses

  • Screen networking results for diagnostic fragments or neutral losses.
  • Export spectra satisfying selected query conditions.

Scientific fit

Primary function

Spectral processing and comparison

Data compatibility

Inputs

Mass spectra

Outputs

Mass spectra, Human-readable report

Input formats

Public GNPS2 CMN/FBMN task ID and MassQL query text

Output formats

MGF, CSV or TSV

Scope and considerations

Designed for

  • Chemical-pattern searching after classical or feature-based molecular networking.

Not designed for

  • Raw-file preprocessing or conclusive identification from a query hit alone.

Important requirements

  • A completed, public GNPS2 CMN or FBMN task and a valid MassQL query.

Considerations

  • A query hit supports a fragmentation hypothesis; it does not validate a full structure.
  • The app searches processed spectra, so upstream processing affects the available evidence.
  • Retain the executed query text and upstream task identifier with exported 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. PostMN 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.

  1. 2026-09-10 · First committed entry

    Add curated MassQL and reverse-metabolomics apps

    View change · Entry at this revision

Full GitHub history