Personal scientific website
Patrik Španěl
Chemical physicist · Mass spectrometrist
I study ion–molecule reactions and use mass spectrometry to analyse trace gases and volatile compounds. Much of my work connects the underlying gas phase physics and chemistry with medical and environmental applications.
ORCID 0000-0002-9868-8282
About
My scientific interests have developed around gas-phase ion chemistry, selected-ion flow-tube mass spectrometry (SIFT-MS), and the detection of small molecules in complex samples. This page is a concise record of that work, independent of any current appointment.
Research
- Ion–molecule chemistryReaction processes in gases and their use in chemical analysis.
- SIFT-MSQuantitative, real-time measurement of trace volatile compounds.
- Breath and air analysisApplications to human breath, biological samples and environmental air.
Contributions
My work connects fundamental ion–molecule chemistry with the quantitative analysis of trace gases. These papers are selected examples of how that work began and continues today.
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Developing SIFT-MS
With David Smith, I helped develop selected ion flow tube mass spectrometry for real-time measurement of trace gases in air and breath. Early and recent reviews trace its development and applications.
Selected papers: 1996 description · 2005 review · 2025 review
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Understanding the ion chemistry
Reliable analysis depends on knowing how reagent ions react with the compounds being measured. Our work spans early studies of alcohols and more recent studies of alkanes and amines.
Selected papers: 1997 alcohols · 2024 alkanes · 2026 amines
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Making measurements quantitative
We developed a method for converting SIFT-MS signals into absolute trace-gas concentrations. Later work improves repeatability with a multicomponent gas standard and identifies sample-handling reactions that can distort short-chain fatty-acid measurements.
Selected papers: 2006 method · 2023 quantitation · 2026 sample handling
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Studying human breath
Early studies measured breath ammonia in patients with renal failure and explored how breath compounds vary over time. More recently, with colleagues, I helped combine thermal desorption with SIFT-MS to analyse collected breath samples.
Selected papers: 1997 ammonia · 2006 variation · 2024 breath analysis
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Exploring clinical applications
With clinical collaborators, I have investigated whether breath compounds could help distinguish disease from non-disease, including studies of oesophageal, gastric and colorectal cancer. A recent multicentre protocol sets out further evaluation. This remains research, not an established diagnostic test.
Selected papers: 2015 upper GI · 2022 colorectal · 2025 protocol
Publications
Publications from the current year and previous four years, updated from my ORCID iD when this page opens. Author names and journal details come from OpenAlex where available; 🔓 marks confirmed open access.
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