Overview
mass2adduct analyzes pairwise mass differences to investigate possible adducts in MSI data. Its R functions import processed matrices or mass lists, summarize difference distributions and compare them with candidate adduct information.
What can this tool do?
Common uses
- mass2adduct analyzes pairwise mass differences to investigate possible adducts in MSI data.
Scientific fit
Primary function
Metabolite annotation and identification
Other functions
Preprocessing and feature extraction
Analysis types
Spatial metabolomics
Data compatibility
Inputs
Imaging data, Feature or peak table
Outputs
Compound list or annotations, Feature or peak table
Input formats
Mass lists, processed MSI CSV tables or peak-binned Cardinal objects
Output formats
R mass-difference objects, histograms and candidate-adduct summaries
Scope and considerations
Designed for
- mass2adduct analyzes pairwise mass differences to investigate possible adducts in MSI data.
Not designed for
- Definitive adduct identification from a mass difference alone or automatic raw-imaging preprocessing through every import route.
Important requirements
- R and a mass list, processed MSI CSV matrix or peak-binned Cardinal object; select mass-error/binning settings appropriate to the instrument.
Considerations
- Pairwise combinations can be numerous and include coincidental differences. Spatial/intensity evidence and experimental chemistry help assess candidate adduct assignments.
Access and documentation
GPL-3.0 source distribution. External datasets, dependent packages and any hosted routes retain their own terms; software operation was not tested.
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-batch3.md.
Core publications
Resource papers, direct updates and tool-specific methods. Selection policy.
- Determination of Abundant Metabolite Matrix Adducts Illuminates the Dark Metabolome of MALDI-Mass Spectrometry Imaging Datasets. Analytical Chemistry (2021). doi:10.1021/acs.analchem.0c04720
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