Overview
Aerith reads and visualizes MS scans and models isotope envelopes under stable-isotope enrichment. Its metabolomics-facing functions calculate expected isotope patterns from molecular formulas; other modules support peptide isotope-pattern and spectrum inspection.
What can this tool do?
Common uses
- An R package for reading, annotating, scoring, and visualizing isotopic mass spectra in stable-isotope-probing workflows for metabolites and peptides.
Scientific fit
Primary function
Isotope tracing and flux analysis
Other functions
Spectral processing and comparison, Visualization and reporting
Analysis types
Stable-isotope tracing
Data compatibility
Inputs
Mass spectra, Isotope-tracing data
Outputs
Isotope-tracing data, Human-readable report
Input formats
Molecular formulas and isotope abundances; FT1/FT2 scan files by module
Output formats
R isotope-pattern or scan objects and spectrum/TIC plots
Scope and considerations
Designed for
- An R package for reading, annotating, scoring, and visualizing isotopic mass spectra in stable-isotope-probing workflows for metabolites and peptides.
Not designed for
- Metabolic flux inference, automatic correction of every isotope-tracing dataset or metabolite identification from an envelope alone.
Important requirements
- R with the documented compiled dependencies; supply molecular formulas and isotope abundances for simulation, or supported scan files for experimental visualization.
Considerations
- Distinguish molecular-formula simulation from the peptide-oriented demonstration workflow. The chosen isotope enrichment and elemental composition determine the theoretical envelope.
Access and documentation
GPL-3.0 repository. External raw-file converters and peptide-analysis tools used in examples are separate dependencies rather than mandatory parts of every metabolite simulation.
License: GPL-3.0
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-batch2.md.
Core publications
Resource papers, direct updates and tool-specific methods. Selection policy.
- Aerith: Visualization and Annotation of Isotopic Enrichment Patterns of Peptides and Metabolites with Stable Isotope Labeling from Proteomics and Metabolomics. Analytical Chemistry (2025). doi:10.1021/acs.analchem.5c03207
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 24 reviewed Enveda tools in a separate second batch
View change · Entry at this revision