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

Author:

Salzer Liesa1ORCID,Witting Michael23ORCID,Schmitt-Kopplin Philippe12

Affiliation:

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

Abstract

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.

Funder

Deutsche Forschungsgemeinschaft

Publisher

Oxford University Press (OUP)

Subject

Computational Mathematics,Computational Theory and Mathematics,Computer Science Applications,Molecular Biology,Biochemistry,Statistics and Probability

Reference11 articles.

1. A mature ROMANCE: a matter of quantity and how two can be better than one;Codesido;ChemRxiv,2020

2. New insights into the conversion of electropherograms to the effective electrophoretic mobility scale;Codesido;Electrophoresis,2021

3. Development of a capillary electrophoretic method for the analysis of low-molecular-weight amines from metal working fluid aerosols and ambient air;Fekete;Electrophoresis,2006

4. MSnbase: efficient and elegant R-Based processing and visualization of raw mass spectrometry data;Gatto;J. Proteome Res,2021

5. ROMANCE: a new software tool to improve data robustness and feature identification in CE-MS metabolomics;González-Ruiz;Electrophoresis,2018

Cited by 4 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号  京ICP备18003416号-3