Overview
MassQLab applies named MassQL queries across a directory of mass-spectrometry data and summarizes results as tables and figures. It supports system-suitability and recurring MS1/MS2 query workflows through scripts, notebooks and an evolving GUI.
What can this tool do?
Common uses
- MassQLab applies named MassQL queries across a directory of mass-spectrometry data and summarizes results as tables and figures.
Scientific fit
Primary function
Spectral processing and comparison
Other functions
Quality control and filtering, Visualization and reporting
Analysis types
Targeted metabolomics, Untargeted metabolomics
Data compatibility
Inputs
Raw instrument data, Mass spectra
Outputs
Feature or peak table, Human-readable report
Input formats
mzML files, MassQL query tables and JSON configuration
Output formats
Query/peak-analysis CSV tables and summary figures
Scope and considerations
Designed for
- MassQLab applies named MassQL queries across a directory of mass-spectrometry data and summarizes results as tables and figures.
Not designed for
- Automatic selection of scientifically meaningful queries or universal metabolite identification from a matched mass pattern.
Important requirements
- Python dependencies, mzML files and named queries in JSON/CSV/XLSX with project configuration; optional vendor conversion requires an installed MSConvert executable.
Considerations
- The configured directory is processed as a whole. Review query tolerances, peak fitting and cache settings; standalone GUI development and documented background-process behavior affect use.
Access and documentation
MIT source distribution. External datasets, dependent packages and any hosted routes retain their own terms; software operation was not tested.
License: MIT
Evidence and review
Enveda intake rechecked against official repository documentation, package/license metadata and primary publication identity on 2026-10-27. Editorial source review only; no software execution or independent benchmark. See docs/enveda-expansion-review-2026-10-27-batch3.md.
Core publications
Resource papers, direct updates and tool-specific methods. Selection policy.
- Open‐Source System Suitability: Mass Spectrometry Query Language Lab (MassQLab). Rapid Communications in Mass Spectrometry (2025). doi:10.1002/rcm.10132
Related tools
Entry history
Changes to this catalogue entry, not the tool's software release history. Acceptance and editorial review are separate.
- 2026-10-27 · First committed entry
Add 45 source-reviewed Enveda tool entries in third expansion batch
View change · Entry at this revision