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J Chromatogr Sci

Title:		"A Comprehensive Strategy Based on UPLC-Q/TOF-MS for the Identification of Compounds in a Chinese Patent Medicine, Xiao'er Chiqiao Qingre Granules"
Author(s):		Tian G; Gao M; Li C; Shen F; Zhu F; Li X; Wang Y; Bao B; Zhang L; Huo Z; Yao W;
Address:		"Jumpcan Pharmaceutical Group Co., Ltd, Taixing, Jiangsu 225300, P.R. China. Jiangsu Collaborative Innovation Center of Chinese Medicinal Resources Industrialization, and National and Local Collaborative Engineering Center of Chinese Medicinal Resources Industrialization and Formulae Innovative Medicine, Nanjing University of Chinese, Nanjing, Jiangsu 210000, P.R. China. Jiangsu Provincial Center for Disease Control and Prevention, Nanjing, Jiangsu 210000, P.R. China"
Journal Title:		J Chromatogr Sci
Year:		2022
Volume:		61
Issue:		1
Page Number:		38 - 55
DOI:		10.1093/chromsci/bmac023
ISSN/ISBN:		1945-239X (Electronic) 0021-9665 (Linking)
Abstract:		"The aim of this study was to establish a comprehensive strategy based on liquid chromatography coupled with mass spectrometry to potently identify as many compounds of Chinese patent medicine as possible. Ultrahigh performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-Q/TOF-MS) was used to qualitatively analyze the Chinese patent medicine Xiao'er Chiqiao Qingre Granules (XCQG), which is recorded in the Chinese Pharmacopoeia. A novel strategy, including targeted, semi-targeted and non-targeted identification, was built to explore the compounds based on accurate mass, characteristic fragments, retention time of standard substances, databases or literature. Based on the integrated identification, 250 compounds were identified in total, including 7 alcohols, 3 aldehydes, 17 alkaloids, 9 amino acids, 10 coumarins, 30 flavonoids, 29 glycosides, 12 ketones, 7 lignans, 20 organic acids, 12 phenols, 11 phenylpropanoids, 9 quinones, 3 steroids, 26 terpenes, 14 volatile oils and 31 other compounds. A novel strategy for the identification of compounds in traditional Chinese medicine (TCM) was developed with Ultrahigh performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-Q/TOF-MS). It is also the first systematic study of compounds in XCQG, laying a foundation for further mechanism research of XCQG. More importantly, the strategy shows good application prospect in identifying compounds of TCM"
Keywords:		"*Drugs, Chinese Herbal/chemistry Chromatography, High Pressure Liquid/methods Glycosides/analysis Mass Spectrometry Medicine, Chinese Traditional;"
Notes:		"MedlineTian, Gang Gao, Mengting Li, Chao Shen, Fei Zhu, Feng Li, Xin Wang, Yifei Bao, Beihua Zhang, Li Huo, Zongli Yao, Weifeng eng KYCX21_1806/Graduate Student Scientific Research Innovation Projects in Jiangsu Province/ 81973445/National Natural Science Foundation of China/ 2022/04/05 J Chromatogr Sci. 2022 Dec 29; 61(1):38-55. doi: 10.1093/chromsci/bmac023"