MobilityTransformR: an R package for effective mobility transformation of CE-MS data

Area of Science:

• Analytical Chemistry
• Bioinformatics
• Computational Biology

Background:

• Capillary zone electrophoresis-mass spectrometry (CE-MS) is a powerful technique for metabolomics.
• Analyzing CE-MS data can be challenging due to mobility variations.
• Reproducibility in metabolomics data analysis is crucial.

Purpose of the Study:

• To introduce MobilityTransformR, an R/Bioconductor package.
• To provide effective mobility scaling for CE-MS data.
• To facilitate the integration of transformed CE-MS data into existing metabolomics workflows.

Main Methods:

• Development of the MobilityTransformR package in R.
• Leveraging existing R packages for data processing and analysis.
• Implementation of mobility scaling algorithms for CE-MS data.

Main Results:

• MobilityTransformR enables effective mobility scaling of CE-MS data.
• The package ensures reproducible transformed CE-MS data.
• Seamless integration with established MS-based metabolomics workflows is achieved.

Conclusions:

• MobilityTransformR offers a valuable tool for CE-MS data analysis.
• The package enhances the reproducibility and usability of metabolomics data.
• It supports researchers in leveraging CE-MS data more effectively.