高分辨率质子转移反应飞行时间质谱仪的研制及其在大气VOCs定点连续监测中的应用  

Development of High-Resolution Proton Transfer Reaction Time-of-Flight Mass Spectrometer and its Application in Continuous Fixed-Point Monitoring of Atmospheric VOCs

作　　者：赵忠俊 岳寒露 郭星 邓辅龙 何星亮 李成林 许云海 杨燕婷 段忆翔 ZHAO Zhong-jun;YUE Han-lu;GUO Xing;DENG Fu-long;HE Xing-liang;LI Cheng-lin;XU Yun-hai;YANG Yan-ting;DUAN Yi-xiang(School of Mechanical Engineering,Sichuan University,Chengdu 610064,China;ALIBEN Science&Technology,Chengdu 610064,China)

机构地区：[1]四川大学机械工程学院,四川成都610064 [2]成都艾立本科技有限公司,四川成都610064

出　　处：《质谱学报》2025年第2期140-148,I0001,共10页Journal of Chinese Mass Spectrometry Society

摘　　要：在线式挥发性有机物(VOCs)分析质谱仪因分析速度快、时间分辨率高、灵敏度高、解谱简单,填补了气相色谱-质谱仪在特定分析应用领域的不足,近年来,在环境监测、食品安全、生命科学研究等领域得到飞速发展和广泛应用。该仪器的定性分析能力依赖于质谱峰的准确测量与分辨,因此,提高仪器分辨率是重要的发展方向。本研究报道了高分辨率质子转移反应飞行时间质谱仪(PTR-TOF MS 6000)的研制,及其在同名义分子质量、不同分子质量物质的准确鉴别和大气环境实时监测中的探索应用。采用水合离子分子离子反应器作为VOCs的高效电离源,实现了VOCs的软电离。低真空部分离子传输器使用射频四极杆作为离子导向装置,以保证离子传输效率;使用高分辨飞行时间质量分析器实现离子质荷比测定,达到高于6000全高半峰宽(FWHM)分辨率。受益于更高的分辨率,仪器可以实现同名义分子质量、不同分子质量化合物的准确分辨,进一步提高了质子转移反应飞行时间质谱仪的定性能力,拓展了该技术的应用范围。The online mass spectrometry for volatile organic compounds(VOCs)analysis has rapidly advanced and found extensive applications in environmental monitoring,food safety,and life science research due to its fast analysis speed,high temporal resolution,high sensitivity,and simplified spectrum interpretation.This kind of online mass spectrometry fills the gap in high-throughput online detection applications where gas chromatography-mass spectrometry(GC-MS)falls short.The qualitative capabilities of online mass spectrometry rely on accurate measurement and resolution of the mass peaks,thus enhancing the mass resolution is a crucial direction for the development of such instruments.This study reported the development of a high-resolution proton transfer reaction time-of-flight mass spectrometer(PTR-TOF MS 6000)and its exploratory applications in accurately identifying compounds with the same nominal mass but different molecular weights,as well as in real-time monitoring of the atmospheric VOCs.This instrument utilized a hydrated ion molecule-ion reactor as an efficient ionization source,achieving soft ionization with the limit of detection below 0.005 nmol/mol for various VOCs,and sensitivity reaching thousands of counts per nmol/mol.The low vacuum part of the ion transmission system used a radio frequency quadrupole as an ion-guiding device to ensure ion transmission efficiency.The mass-to-charge ratio measurement of ions was performed using a high-resolution time-of-flight mass analyzer,achieving a resolution greater than 6205 full width at half maximum(FWHM)at the molecular ion peak of toluene(m/z 93.070,[M+H]^(+)).The developed high-resolution PTR-TOF MS 6000 can effectively distinguish VOCs with the same nominal mass,such as crotonaldehyde([M+H]^(+),m/z 71.049)and 1-pentene([M+H]^(+),m/z 71.086),thereby enhancing the qualitative accuracy of online VOCs analysis without chromatographic separation and providing more accurate and valuable information for practical applications.In preliminary exploratory experiments f

关 键 词：飞行时间质谱(TOF MS) 质子转移反应 环境监测 

分 类 号：O657.63[理学—分析化学]