Citation: Cai-Hong Wang, Cai-Sheng Wu, Hai-Lin Qin, Jin-Lan Zhang. Rapid discovery and identification of 68 compounds in the active fraction from Xiao-Xu-Ming decoction (XXMD) by HPLC-HRMS and MTSF technique[J]. Chinese Chemical Letters, ;2014, 25(12): 1648-1652. doi: 10.1016/j.cclet.2014.09.001 shu

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

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State Key Laboratory of Bioactive Substance and Function of Natural Medicines, Institute of Materia Medica, Chinese Academy of Medical Sciences & Peking Union Medical College, Beijing 100050, China

Corresponding author: Jin-Lan Zhang,
Received Date: 30 May 2014
Available Online: 25 August 2014
Fund Project: The authors would like to thank the Natural Science Foundation of Beijing (No. 7133252) for financial support of this work. (No. 7133252)

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 China. 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 XXMD, including 14 templated compounds (reference compounds), 50 related compounds fished by MTSF technique, and 4 unrelated compounds identified by manual method. This study successfully applied MTSF technology for the first time to discover and identify the components of Chinese prescription. The results demonstrated that MTSF technique should be useful to the discovery and identification of compounds in Chinese prescription. This study also proved that MTSF can be applied to the targeted phytochemical separation.
- Xiao-Xu-Ming decoction,
- High-performance liquid chromatography,
- with high resolution mass spectrometry,
- Mass spectral trees similarity filter,
- technique
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沈阳化工大学材料科学与工程学院沈阳 110142