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<p>High-pressure photoionization time-of-flight mass spectrometry (HPPI-TOF-MS) has emerged as a versatile and powerful analytical technique for trace-level volatile organic compounds (VOCs) detection. However, the limited mass resolution of existing TOF-MS platforms poses challenges for accurate identification of mass peaks during direct analysis of complex exhaled breath components. In this work, a high-pressure photoionization (HPPI) source combined with an ion funnel-based transmission interface was designed and integrated with a high-resolution Orbitrap mass spectrometer (Orbitrap-MS). The limits of detection (LODs) of Orbitrap-MS for allyl methyl sulfide, xylene, and limonene ranged from 4.8 to 17.7 pptv (parts per trillion by volume), which were comparable to, though slightly higher than, those achieved by TOF-MS using the same HPPI source. The HPPI-Orbitrap-MS system demonstrated outstanding qualitative capability by detecting and resolving overlapping compounds such as phenol and pyridine in complex breath matrices.</p>

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Integration and Performance Evaluation of a High-Pressure Photoionization Source with an Orbitrap Mass Spectrometer for Exhaled Breath Analysis

  • 期刊论文

  • 发表日期：

    2026年2月23日

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  • Zhenyuan Zhang,
  • Jichun Jiang,
  • Zhigang Fan,
  • Shuang Wang,
  • Lei Hua,
  • Haiyang Li

摘要

High-pressure photoionization time-of-flight mass spectrometry (HPPI-TOF-MS) has emerged as a versatile and powerful analytical technique for trace-level volatile organic compounds (VOCs) detection. However, the limited mass resolution of existing TOF-MS platforms poses challenges for accurate identification of mass peaks during direct analysis of complex exhaled breath components. In this work, a high-pressure photoionization (HPPI) source combined with an ion funnel-based transmission interface was designed and integrated with a high-resolution Orbitrap mass spectrometer (Orbitrap-MS). The limits of detection (LODs) of Orbitrap-MS for allyl methyl sulfide, xylene, and limonene ranged from 4.8 to 17.7 pptv (parts per trillion by volume), which were comparable to, though slightly higher than, those achieved by TOF-MS using the same HPPI source. The HPPI-Orbitrap-MS system demonstrated outstanding qualitative capability by detecting and resolving overlapping compounds such as phenol and pyridine in complex breath matrices.