研究目的
To modify an atmospheric pressure photoionization (APPI) source for online analysis of exhaled breath coupled with quadrupole time-of-flight mass spectrometry (QTOFMS) for metabolomics studies and clinical diagnosis.
研究成果
The modified APPI-QTOFMS method is suitable for online breath analysis and has potential for expanding metabolite coverage in exhalation, with four metabolites detected in exhaled breath for the first time.
研究不足
The study was limited to five healthy volunteers, and the identification of some compounds was tentative due to low ion intensity.
1：Experimental Design and Method Selection:
The APPI source was modified for online analysis of exhaled breath by coupling with QTOFMS. Three parameters of the APPI source were optimized.
2：Sample Selection and Data Sources:
Five healthy volunteers were enrolled to test the performance of modified APPI-QTOFMS by analyzing their exhaled breath.
3：List of Experimental Equipment and Materials:
A modified APPI source combined with a quadrupole time-of-flight mass spectrometer (MicrOTOF-Q III, Bruker Daltonics Inc., Fremont, CA, USA) was used for breath analysis.
4：Experimental Procedures and Operational Workflow:
The exhaled breath was sucked into the chamber from the bypass through a PTFE tube heated to a constant temperature of 100°C. Neutral molecules were ionized by a krypton-filled vacuum UV lamp.
5：Data Analysis Methods:
The mass spectra were recorded in a mass range of m/z 20–1000 in positive-ion detection mode. CID analysis was performed with collision energy of 20 ± 10 eV.
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