An R package to analyse LC/MS metabolomic data: MAIT (Metabolite Automatic Identification Toolkit).
Where this comes from
- Record sourced from PubMed, PMID 24642061.
- Also identified by DOI 10.1093/bioinformatics/btu136 and PMC identifier 4071204.
- Licence recorded as CC BY-NC.
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Abstract
Current tools for liquid chromatography and mass spectrometry for metabolomic data cover a limited number of processing steps, whereas online tools are hard to use in a programmable fashion. This article introduces the Metabolite Automatic Identification Toolkit (MAIT) package, which makes it possible for users to perform metabolomic end-to-end liquid chromatography and mass spectrometry data analysis. MAIT is focused on improving the peak annotation stage and provides essential tools to validate statistical analysis results. MAIT generates output files with the statistical results, peak annotation and metabolite identification. http://b2slab.upc.edu/software-and-downloads/metabolite-automatic-identification-toolkit/.
Medical subject headings
- Automation, Laboratory
- Chromatography, High Pressure Liquid
- Mass Spectrometry
- Metabolomics
- Software Design