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


Journal

Bioinformatics (Oxford, England)
ISSN: 1367-4811
Titre abrégé: Bioinformatics
Pays: England
ID NLM: 9808944

Informations de publication

Date de publication:
10 08 2022
Historique:
received: 30 03 2022
revised: 28 05 2022
accepted: 30 06 2022
pubmed: 6 7 2022
medline: 15 11 2022
entrez: 5 7 2022
Statut: ppublish

Résumé

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. 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 data are available at Bioinformatics online.

Identifiants

pubmed: 35781328
pii: 6628580
doi: 10.1093/bioinformatics/btac441
doi:

Types de publication

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

Langues

eng

Sous-ensembles de citation

IM

Pagination

4044-4045

Subventions

Organisme : Deutsche Forschungsgemeinschaft (DFG, German Research Foundation)
ID : 431572533

Informations de copyright

© The Author(s) 2022. Published by Oxford University Press. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Auteurs

Liesa Salzer (L)

Research Unit Analytical BioGeoChemistry, Helmholtz Zentrum München, D-85764 Neuherberg, Germany.

Michael Witting (M)

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

Philippe Schmitt-Kopplin (P)

Research Unit Analytical BioGeoChemistry, Helmholtz Zentrum München, D-85764 Neuherberg, Germany.
Chair of Analytical Food Chemistry, TUM School of Life Sciences, Technical University of Munich, D-85354 Freising, Germany.

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Classifications MeSH