Rapid discovery and identification of 68 compounds in the active fraction from Xiao-Xu-Ming decoction(XXMD) by HPLC-HRMS and MTSF technique

作     者：Cai-Hong Wang Cai-Sheng Wu Hai-Lin Qin Jin-Lan Zhang 

作者机构：State Key Laboratory of Bioactive Substance and Function of Natural Medicines.Institute of Materia MedicaChinese Academy of Medical Sciences  Peking Union Medical College State Key Laboratory of Bioactive Substance and Function of Natural Medicines.Institute of Materia MedicaChinese Academy of Medical Sciences Peking Union Medical College 

出 版 物：《Chinese Chemical Letters》 (中国化学快报（英文版）)

年 卷 期：2014年第25卷第12期

页      面：1648-1652页

核心收录：

学科分类：1007[医学-药学(可授医学、理学学位)] 100704[医学-药物分析学] 081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070302[理学-分析化学] 0703[理学-化学] 10[医学] 

基　　金：the Natural Science Foundation of Beijing(No.7133252) for financial support of this work 

主　　题：Xiao Xu Ming decoction High performance liquid chromatography with high resolution mass spectrometry Mass spectral trees similarity filter technique 

摘      要：Xiao-Xu-Ming decoction（XXMD） was a traditional Chinese prescription and first recorded in ＂Bei Ji Qian Jin Yao Fang＂.It has been widely used to treat theoplegia and the sequel of theoplegia in *** the present work,high-performance liquid chromatography coupled with high resolution mass spectrometry（HPLC-HRMS） combined with the mass spectral tree similarity filter technique（MTSF）was used to rapidly discover and identify the compounds of the active fraction of XXMD.A total of 3362 compounds were automatically detected by HPLC-HRMS,and final 68 compounds were identified in the active fraction of *** 14 templated compounds（reference compounds）,50 related compounds fished by MTSF technique,and 4 unrelated compounds identified by manual *** study successfully applied MTSF technology for the first time to discover and identify the components of Chinese *** results demonstrated that MTSF technique should be useful to the discovery and identification of compounds in Chinese *** study also proved that MTSF can be applied to the targeted phytochemical separation.