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

Liesa Salzer; Michael Witting; Philippe Schmitt-Kopplin

doi:10.1093/bioinformatics/btac441

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

Bioinformatics. 2022 Aug 10;38(16):4044-4045. doi: 10.1093/bioinformatics/btac441.

Authors

Liesa Salzer¹, Michael Witting^{2

3}, Philippe Schmitt-Kopplin^{1

2}

Affiliations

¹ Research Unit Analytical BioGeoChemistry, Helmholtz Zentrum München, D-85764 Neuherberg, Germany.
² Chair of Analytical Food Chemistry, TUM School of Life Sciences, Technical University of Munich, D-85354 Freising, Germany.
³ Metabolomics and Proteomics Core, Helmholtz Zentrum München, D-85764 Neuherberg, Germany.

PMID: 35781328
DOI: 10.1093/bioinformatics/btac441

Abstract

Summary: We present MobilityTransformR, an R/Bioconductor package for the effective mobility scaling of capillary zone electrophoresis-mass spectrometry (CE-MS) data. It uses functionality from different R packages that are frequently used for data processing and analysis in MS-based metabolomics workflows, allowing the subsequent use of reproducible transformed CE-MS data in existing workflows.

Availability and implementation: MobilityTransformR is implemented in R (Version >= 4.2) and can be downloaded directly from the Bioconductor database (https://bioconductor.org/packages/MobilityTransformR) or GitHub (https://github.com/LiesaSalzer/MobilityTransformR).

Supplementary information: Supplementary data are available at Bioinformatics online.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Databases, Factual
Electrophoresis, Capillary
Mass Spectrometry
Metabolomics*
Software*

Grants and funding

431572533/Deutsche Forschungsgemeinschaft (DFG, German Research Foundation)