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Journal article
Use of TOFSim, a LabView-Based Time-of-Flight Mass Spectrometer Simulation, to Model Real Instrument Data
Journal of the American Society for Mass Spectrometry, v 36(3), pp 534-541
07 Feb 2025
PMID: 39918436
Featured in Collection : Research Supported by Drexel Libraries' OA Programs
Abstract
It is demonstrated here that a recently published LabView-based time-of-flight mass spectrometer (TOFMS) simulation program (named TOFSim) can accurately simulate data collected on a commercial Bruker Autoflex III matrix-assisted laser desorption/ionization (MALDI) TOFMS instrument operating in linear mode. Once the instrument distances are determined by matching measured and simulated flight times, it is shown that both overall flight times and peak widths are reproduced for data collected under both focused and slightly defocused conditions. This work confirms that TOFSim can be used not just for training new instrument operators in the principles of TOFMS but, as demonstrated here, to show how changing the voltage applied to grid G1 in the source or the delayed extraction delay time affects the focusing properties of the instrument. In the future we expect that this will also allow users to perform "what-if" experiments to investigate scenarios which may be difficult or impossible to do in a real instrument.
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Details
- Title
- Use of TOFSim, a LabView-Based Time-of-Flight Mass Spectrometer Simulation, to Model Real Instrument Data
- Creators
- Hannah M Palmer - Drexel University, ChemistryKevin G Owens (Corresponding Author) - Drexel University, Chemistry
- Publication Details
- Journal of the American Society for Mass Spectrometry, v 36(3), pp 534-541
- Publisher
- ACS Publications
- Number of pages
- 8
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Chemistry
- Web of Science ID
- WOS:001416523800001
- Scopus ID
- 2-s2.0-85217200127
- Other Identifier
- 991022025835904721
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InCites Highlights
Data related to this publication, from InCites Benchmarking & Analytics tool:
- Web of Science research areas
- Biochemical Research Methods
- Chemistry, Analytical
- Chemistry, Physical
- Spectroscopy