The Lianhua Qingwen(LHQW) capsule is a popular traditional Chinese medicine for the treatment of viral respiratory diseases.In particular,it has been recently prescribed to treat infections caused by the severe acute ...The Lianhua Qingwen(LHQW) capsule is a popular traditional Chinese medicine for the treatment of viral respiratory diseases.In particular,it has been recently prescribed to treat infections caused by the severe acute respiratory syndrome coronavirus 2(SARS-CoV-2).However,due to its complex composition,little attention has been directed toward the analysis of chemical constituents present in the LHQW capsule.This study presents a reliable and comprehensive approach to characterizing the chemical constituents present in LHQW by high-performance liquid chromatography-Q Exactive-Orbitrap mass spectrometry(HPLC-Q Exactive-Orbitrap-MS) coupled with gas chromatography-mass spectrometry(GC-MS).An automated library alignment method with a high mass accuracy(within 5 ppm) was used for the rapid identification of compounds.A total of 104 compounds,consisting of alkaloids,flavonoids,phenols,phenolic acids,phenylpropanoids,quinones,terpenoids,and other phytochemicals,were successfully characterized.In addition,the fragmentation pathways and characteristic fragments of some representative compounds were elucidated.GC-MS analysis was conducted to characterize the volatile compounds present in LHQW.In total,17 compounds were putatively characterized by comparing the acquired data with that from the NIST library.The major constituent was menthol,and all the other compounds were terpenoids.This is the first comprehensive report on the identification of the major chemical constituents present in the LHQW capsule by HPLC-Q Exactive-Orbitrap-MS,coupled with GCMS,and the results of this study can be used for the quality control and standardization of LHQW capsules.展开更多
本文采用高效液相色谱-静电场轨道阱高分辨质谱(high performance liquid chromatography-quadrupole/orbitrap high resolution mass spectrometry,HPLC-Q/Exactive)技术,建立了口服液、胶囊、药片中119种精神活性类物质的定性定量分...本文采用高效液相色谱-静电场轨道阱高分辨质谱(high performance liquid chromatography-quadrupole/orbitrap high resolution mass spectrometry,HPLC-Q/Exactive)技术,建立了口服液、胶囊、药片中119种精神活性类物质的定性定量分析方法.样品在氯化钠盐析的作用下,采用乙腈超声提取,固相基质分散净化,Waters HSS C_(18)高效液相色谱柱分离,在电喷雾正/负离子模式下同时电离,一级全扫描自动触发子离子(Full-MS-data dependence MS^(2),Full-MS-ddMS^(2))监测分析.在优化的条件下,119种精神活性类物质的方法定量限为10μg/kg,在0.5~200μg/kg范围内,峰面积与质量浓度呈良好的线性关系,相关系数R^(2)≥0.99.在胶囊、药片、口服液样品中分别添加3种不同浓度水平的精神活性类物质,得到检测回收率为87.0%~111.9%,相对标准偏差(RSD)为1.8%~17.4%.所建立的方法可用于不同基质中119种精神活性物质的同时测定,已成功用于口岸现场疑似毒品的鉴定工作,可以为打击精神活性类物质犯罪提供技术支持.展开更多
基金financially supported by the Fundamental Research Funds for the Central Universities (Grant No.: 2042020kf1003)。
文摘The Lianhua Qingwen(LHQW) capsule is a popular traditional Chinese medicine for the treatment of viral respiratory diseases.In particular,it has been recently prescribed to treat infections caused by the severe acute respiratory syndrome coronavirus 2(SARS-CoV-2).However,due to its complex composition,little attention has been directed toward the analysis of chemical constituents present in the LHQW capsule.This study presents a reliable and comprehensive approach to characterizing the chemical constituents present in LHQW by high-performance liquid chromatography-Q Exactive-Orbitrap mass spectrometry(HPLC-Q Exactive-Orbitrap-MS) coupled with gas chromatography-mass spectrometry(GC-MS).An automated library alignment method with a high mass accuracy(within 5 ppm) was used for the rapid identification of compounds.A total of 104 compounds,consisting of alkaloids,flavonoids,phenols,phenolic acids,phenylpropanoids,quinones,terpenoids,and other phytochemicals,were successfully characterized.In addition,the fragmentation pathways and characteristic fragments of some representative compounds were elucidated.GC-MS analysis was conducted to characterize the volatile compounds present in LHQW.In total,17 compounds were putatively characterized by comparing the acquired data with that from the NIST library.The major constituent was menthol,and all the other compounds were terpenoids.This is the first comprehensive report on the identification of the major chemical constituents present in the LHQW capsule by HPLC-Q Exactive-Orbitrap-MS,coupled with GCMS,and the results of this study can be used for the quality control and standardization of LHQW capsules.
