MRmetabol

MRmetabol is a software platform for magnetic resonance-based metabolomics, designed to assist researchers in identifying and quantifying metabolites from MR spectroscopy data. It provides a curated library of metabolite reference spectra and workflow tools to support common MR metabolomics tasks.

Core capabilities include automated peak detection and spectral alignment, library-based spectral matching for metabolite annotation, and quantitative estimation using internal standards or calibration models. The platform supports multiple MR modalities and a range of sample types, enabling both targeted and untargeted approaches.

Data interoperability is a focus of MRmetabol, as it integrates with public metabolite databases to enrich annotations and provide pathway context, and it supports data formats used by MR instruments. It emphasizes reproducibility by enabling batch processing, provenance tracking, and exporting results in standard formats for downstream analysis.

Originating from academic collaboration within the MR metabolomics community, MRmetabol is used in research settings to streamline metabolite identification from MR spectra and to facilitate comparative studies across samples and experiments.