分析化学2026，Vol.54Issue(3)：472-480,中插37-中插40,13.DOI:10.19756/j.issn.0253-3820.251319
气相色谱-四极杆-飞行时间质谱法非靶向分析中药艾叶中的未知挥发性成分
Non-targeted Analysis of Unknown Volatile Compounds in Artemisiae Argyi Folium(Ai Ye)by Gas Chromatography Coupled with Quadrupole Time-of-Flight Mass Spectrometry
摘要
Abstract
As a representative traditional Chinese medicine for inhalation therapy,the characterization of volatile compounds of Artemisiae argyi Folium(Ai Ye)remains incomplete.There is a pressing need to investigate its odor-active compounds,pharmacological substances,potential chemical risk components,and their respective concentration levels under different clinical application scenarios.In this study,a headspace gas chromatography coupled with quadrupole time-of-flight mass spectrometry(HS-GC-Q-TOF MS)non-targeted method was employed to analyze 10 batches of Ai Ye samples under two application temperatures,40℃ and 180℃.A total of 215 volatile compounds were identified.Further analysis revealed 15 kinds of key odor-active compounds(Relative odor activity value(ROAV)≥0.1),with major contributors including vanillin,benzeneacetic acid,m-cresol,eucalyptol,and phenylacetaldehyde.The number and peak area of compounds with pharmacological activity were significantly higher at 180℃(15 compounds)than at 40℃(11 compounds).Notably,(-)-spathulenol,eugenol,α-phellandrene,and caryophyllene oxide were exclusively detected at 180℃.This indicated that the moxibustion process could release a more diverse repertoire of pharmacologically active compounds,potentially possessing a broader spectrum of pharmacological action.Concurrently,the number and peak area of chemical risk substances released were also significantly greater at 180℃,indicating increased emission of such compounds during moxibustion.These results underscored the importance of adhering to the ″minimum effective dose″principle to avoid overexposure.This work not only provided a scientific basis for optimizing the clinical application of Ai Ye in inhalation therapy but also served as a reference for analyzing unknown volatile components in other herbal medicines.关键词
非靶向分析/中药艾叶/气味物质/药理活性物质/化学风险Key words
Non-targeted analysis/Artemisiae argyi Folium(Ai Ye)/Odor-active compounds/Pharmacologically active substances/Chemical risks引用本文复制引用
尤申,韩惠琳,梁爽,严景丽,张庆,吕庆..气相色谱-四极杆-飞行时间质谱法非靶向分析中药艾叶中的未知挥发性成分[J].分析化学,2026,54(3):472-480,中插37-中插40,13.基金项目
国家重点研发计划项目(No.2022YFF0606201)和中国质量检验检测科学研究院基本科研业务费项目(No.2024JK009)资助. Supported by the National Key Research and Development Program of China(No.2022YFF0606201),and the Science Research Program of the Chinese Academy of Inspection and Quarantine(No.2024JK009). （No.2022YFF0606201）
