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Title: TIMSCONVERT: a workflow to convert trapped ion mobility data to open data formats
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.  more » « less
Award ID(s):
2128044
PAR ID:
10358691
Author(s) / Creator(s):
; ; ; ; ;
Editor(s):
Vitek, Olga
Date Published:
Journal Name:
Bioinformatics
Volume:
38
Issue:
16
ISSN:
1367-4803
Page Range / eLocation ID:
4046 to 4047
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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