Overview
Built on OpenMS, SmartPeak combines peak detection, integration, calibration and QC reporting with graphical and command-line interfaces.
What can this tool do?
Common uses
- Process targeted LC-MS batches.
- Review calibration curves and quantitative QC reports.
Scientific fit
Primary function
Quantification and targeted analysis
Data compatibility
Inputs
Mass spectra, Sample metadata
Outputs
Feature or peak table, Human-readable report
Input formats
mzML, CSV or TSV
Output formats
CSV or TSV
Scope and considerations
Designed for
- Process targeted LC-MS batches.
Not designed for
- Obtaining defensible concentrations without suitable calibration and assay validation.
Important requirements
- Compatible measurement files, a sequence table and method-specific configuration.
Considerations
- Inspect integration and calibration fits, especially near detection limits or in the presence of interference.
Access and documentation
MIT-licensed application; underlying components have their own licenses.
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.
Core publications
Resource papers, direct updates and tool-specific methods. Selection policy.
- Kutuzova S, Colaianni P, Röst H, et al. SmartPeak Automates Targeted and Quantitative Metabolomics Data Processing. Anal Chem 92, 15968-15974 (2020). doi:10.1021/acs.analchem.0c03421
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