title: Chemical constituents and quality control of two Dracocephalum species based on high-performance liquid chromatographic fingerprints coupled with tandem mass spectrometry and chemometrics.
abstract: Two similar Dracocephalum species, namely, Dracocephalum tanguticum Maxim and Dracocephalum moldavica L, are commonly used as ethnic medicines in China. Here we describe a strategy of combining high-performance liquid chromatography with quadrupole time-of-flight mass spectrometry, as well as fingerprints and chemometrics for characterization and discrimination of chemical constituents on the two herbs. A total of 49 compounds including 33 flavonoids, 5 phenylethanol glycosides, 1 coumarin glycoside, 8 organic acids, and 2 other types of compounds were unambiguously or tentatively identified from the two Dracocephalum species. Among the compounds identified, 26 were characterized for the first time and 4 compounds, rosmarinic acid (7), salvianolic acid B (10), luteoloside (22), diosmetin-7-O-glucoside (28), were inferred as common constituents for the two herbs. Flavonoids featured in these two Dracocephalum species while their types presented significant differences. Acacetin (45) and acacetin glycosides (acatetin-7-O-glucuronide (30), acacetin-7-O-(6"-O-malonyl) glucoside (33), buddleoside (34), tilianin (35), and agastachoside (42)) were detected only in D. moldavica, which can be used to discriminate two herbal medicines. In addition, six characteristic constitutes in D. tanguticum were simultaneously quantified. Moreover, the induced chemometrics methods including similarity analysis and hierarchical clustering analysis were successfully applied for origin discrimination and quality evaluation of D. tanguticum and D. moldavica.
authors.affiliation: Department of Pharmaceutical Analysis, China Pharmaceutical University, Nanjing, China.
authors.forename: Qi
authors.initials: Q
authors.lastname: Li
authors.affiliation: Department of Pharmaceutical Analysis, China Pharmaceutical University, Nanjing, China.
authors.forename: Yiqi
authors.initials: Y
authors.lastname: Liu
authors.affiliation: Department of Pharmaceutical Analysis, China Pharmaceutical University, Nanjing, China.
authors.forename: Lingfei
authors.initials: L
authors.lastname: Han
authors.affiliation: Department of Pharmaceutical Analysis, China Pharmaceutical University, Nanjing, China.
authors.forename: Jiazhuo
authors.initials: J
authors.lastname: Liu
authors.affiliation: Department of Pharmaceutical Analysis, China Pharmaceutical University, Nanjing, China.|Key Laboratory on Protein Chemistry and Structural Biology, China Pharmaceutical University, Nanjing, China.
authors.forename: Wenyuan
authors.initials: W
authors.lastname: Liu
authors.affiliation: Key Laboratory of Biomedical Functional Materials, China Pharmaceutical University, Nanjing, China.|Department of Natural Medicinal Chemistry, China Pharmaceutical University, Nanjing, China.
authors.forename: Feng
authors.initials: F
authors.lastname: Feng
authors.affiliation: Key Laboratory of Biomedical Functional Materials, China Pharmaceutical University, Nanjing, China.|Department of Natural Medicinal Chemistry, China Pharmaceutical University, Nanjing, China.
authors.forename: Jie
authors.initials: J
authors.lastname: Zhang
authors.affiliation: Jiangxi Qingfeng Pharmaceutical Corporation, Ganzhou, China.
authors.forename: Ning
authors.initials: N
authors.lastname: Xie
mesh_terms: D002681:China; D002851:Chromatography, High Pressure Liquid; D004365:Drugs, Chinese Herbal / Q000032:analysis*; D019686:Lamiaceae / Q000737:chemistry*; D064209:Phytochemicals / Q000032:analysis*; D011786:Quality Control; D053719:Tandem Mass Spectrometry
chemical_list: D004365:Drugs, Chinese Herbal; D064209:Phytochemicals
keywords: Chemometrics; Dracocephalum moldavica L; Dracocephalum tanguticum Maxim; Quadrupole time-of-flight mass spectrometry; Simultaneous quantification