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Biomed Chromatogr

Title:		Comprehensive chemical profiling of guizhi fuling capsule by the combined use of gas chromatography-mass spectrometry with a deconvolution software and rapid-resolution liquid chromatography quadrupole time-of-flight tandem mass spectrometry
Author(s):		Wang YQ; Qi LW; Aa J; Wang GJ; Gao W; Cheng SJ; Wang ZZ; Xiao W; Li P;
Address:		"State Key Laboratory of Natural Medicines (China Pharmaceutical University), Nanjing, China"
Journal Title:		Biomed Chromatogr
Year:		2012
Volume:		20120202
Issue:		10
Page Number:		1286 - 1296
DOI:		10.1002/bmc.2695
ISSN/ISBN:		1099-0801 (Electronic) 0269-3879 (Linking)
Abstract:		"Herbal formulations are complex natural mixtures. Researchers usually tend to focus more on analysis of nonvolatile components but pay less attention to volatile compounds. In this study, an analytical strategy combining two approaches was established for comprehensive analysis of herbal formulations. Guizhi Fuling capsule (GFC), a drug approved by the FDA to enter phase II clinical trial for treatment of primary dysmenorrhea, was taken as a case for analysis. Gas chromatography-mass spectrometry (GC-MS) with automated mass spectral deconvolution and identification system (AMDIS) led to rapid identification of 48 volatile components including four acetophenones, three fatty acid esters, 13 phenylpropanoids and 19 sesquiterpenes. Most of them were found from Guizhi. The volatile oils of Guizhi have been proved to exhibit many pharmacological activities. This is helpful in understanding the pharmacological mechanism of GFC. Furthermore, AMDIS turned out to be efficient and reliable for analysis of complex herbal formulations. Rapid-resolution liquid chromatography (RRLC) coupled with electrospray ionization quadrupole time-of-flight tandem mass spectrometry (ESI-Q-TOF MS/MS) allowed the identification of 70 nonvolatile components including six acetophenones, 12 galloyl glucoses, 31 monoterpene glycosides, three phenols and 12 triterpene acids. Fragmentation behaviors of assigned components, especially triterpene acids, which are hard to identify by low-resolution MS, were first investigated by TOF MS/MS. Characteristic ions and typical loss of assigned triterpene acids were summarized. Combinatorial use of GC-MS-AMDIS and RRLC-ESI-Q-TOF MS/MS could be of great help in global qualitative analysis of GFC, as well as other herbal products"
Keywords:		"Drugs, Chinese Herbal/*chemistry Gas Chromatography-Mass Spectrometry/*methods Organic Chemicals/analysis/chemistry/isolation & purification Software Tandem Mass Spectrometry/*methods;"
Notes:		"MedlineWang, Ya-Qiong Qi, Lian-Wen Aa, Jiye Wang, Guang-Ji Gao, Wen Cheng, Shu-Jie Wang, Zhen-Zhong Xiao, Wei Li, Ping eng Research Support, Non-U.S. Gov't England 2012/02/03 Biomed Chromatogr. 2012 Oct; 26(10):1286-96. doi: 10.1002/bmc.2695. Epub 2012 Feb 2"