Dataset Information
TIMSCONVERT: a workflow to convert trapped ion mobility data to open data formats.
Ontology highlight
ABSTRACT: Motivation
Advances in mass spectrometry have led to the development of mass spectrometers with ion mobility spectrometry capabilities and dual-source instrumentation; however, the current software ecosystem lacks interoperability with downstream data analysis using open-source software and pipelines.Results
Here, we present TIMSCONVERT, a data conversion high-throughput workflow from timsTOF Pro/fleX mass spectrometer raw data files to mzML and imzML formats that incorporates ion mobility data while maintaining compatibility with data analysis tools. We showcase several examples using data acquired across different experiments and acquisition modalities on the timsTOF fleX MS.Availability and implementation
TIMSCONVERT and its documentation can be found at https://github.com/gtluu/timsconvert and is available as a standalone command-line interface tool for Windows and Linux, NextFlow workflow and online in the Global Natural Products Social (GNPS) platform.Supplementary information
Supplementary data are available at Bioinformatics online.
SUBMITTER: Luu GT
PROVIDER: S-EPMC9991885 | biostudies-literature | 2022 Aug
REPOSITORIES: biostudies-literature
Publications
TIMSCONVERT: a workflow to convert trapped ion mobility data to open data formats.
Bioinformatics (Oxford, England) 20220801 16
<h4>Motivation</h4>Advances in mass spectrometry have led to the development of mass spectrometers with ion mobility spectrometry capabilities and dual-source instrumentation; however, the current software ecosystem lacks interoperability with downstream data analysis using open-source software and pipelines.<h4>Results</h4>Here, we present TIMSCONVERT, a data conversion high-throughput workflow from timsTOF Pro/fleX mass spectrometer raw data files to mzML and imzML formats that incorporates io ...[more]