Chemical profiling of Simiao pill and quantification of main effective constituents in it by ultra-high-performance liquid chromatography coupled with Q Exactive Orbitrap and triple quadrupole mass spectrometry
Simiao pill is one of the most commonly used prescriptions in traditional Chinese medicine for the treatment of hyperuricemia and gout. However, methods based on more accurate and comprehensive qualitative and quantitative analyses of the active ingredients are not yet perfect due to limited methodology. This not only hinders the elucidation of the pharmacological mechanism of Simiao pill, but also its comprehensive clinical development and utilization. In this study, we employed ultra-high-performance liquid chromatography-Q Exactive Orbitrap-mass spectrometry technology to perform rapid analysis and identification of the chemical constituents in Simiao pill. A total of 101 chemical components were identified, including 26 alkaloids, 15 terpenoids, 11 flavonoids, eight steroids, six fatty acids, five limonoids, four saponins, five phenylpropanoids, and 21 other compounds. In addition, we established a new method by high-throughput ultra-high-performance liquid chromatography-Q Exactive Orbitrap-mass spectrometry combined with ultra-high-performance liquid chromatography-triple quadrupole-tandem mass spectrometry technology for quantification of 14 main active ingredients, such as adenosine (1), phellodendrine (2), mangnoflorine (3), beta-ecdysterone (4), 25R-inokosterone (5), 25S-inokosterone (6), jatrorrhizine (7), palmatine (8), chikusetsu saponin IVa (9), limonin (10), atractylenolide III (11), atractylenolide I (12), obacunone (13), and atractylenolide II (14) in Simiao pill. This work laid a foundation for further analysis and quality control of effective components in Simiao pill.
基金：
State Key Laboratory of Dampness Syndrome of Chinese Medicine; [SZ2021ZZ49]; [SZ2022KF16]
第一作者机构：[1]Guangzhou Univ Chinese Med, Affiliated Hosp 2, State Key Lab Dampness Syndrome Chinese Med, Dade Rd 111, Guangzhou 510000, Peoples R China
通讯作者：
通讯机构：[1]Guangzhou Univ Chinese Med, Affiliated Hosp 2, State Key Lab Dampness Syndrome Chinese Med, Dade Rd 111, Guangzhou 510000, Peoples R China[2]Heilongjiang Univ Chinese Med, Dept Pharmaceut Anal, Metabol Lab, Natl Chinmed Res Ctr,Natl TCM Key Lab Serum Pharma, Harbin, Peoples R China
推荐引用方式(GB/T 7714)：
Yang Le,Sun Ye,Wei Shuyun,et al.Chemical profiling of Simiao pill and quantification of main effective constituents in it by ultra-high-performance liquid chromatography coupled with Q Exactive Orbitrap and triple quadrupole mass spectrometry[J].JOURNAL OF SEPARATION SCIENCE.2024,47(1):doi:10.1002/jssc.202300615.
APA：
Yang, Le,Sun, Ye,Wei, Shuyun,Wen, Hao,Liu, Ruicheng&Wang, Xijun.(2024).Chemical profiling of Simiao pill and quantification of main effective constituents in it by ultra-high-performance liquid chromatography coupled with Q Exactive Orbitrap and triple quadrupole mass spectrometry.JOURNAL OF SEPARATION SCIENCE,47,(1)
MLA：
Yang, Le,et al."Chemical profiling of Simiao pill and quantification of main effective constituents in it by ultra-high-performance liquid chromatography coupled with Q Exactive Orbitrap and triple quadrupole mass spectrometry".JOURNAL OF SEPARATION SCIENCE 47..1(2024)
