title: Detection and chemical profiling of Ling-Gui-Zhu-Gan decoction by ultra performance liquid chromatography-hybrid linear ion trap-Orbitrap mass spectrometry.
abstract: Ling-Gui-Zhu-Gan decoction (LGZGD), a well-known traditional Chinese medicine (TCM) formula, has been extensively used for the treatment of cardiovascular disease in clinic. However, the chemical constituents in LGZGD had not been investigated so far. In this study, an ultra performance liquid chromatography-hybrid electrospray ionization linear ion trap-Orbitrap mass spectrometry (UPLC-LTQ-Oribitrap-MS/MS) method was established for rapid separation and structural identification of the constituents in LGZGD. Separation was performed on an ACQUITY(TM) UPLC BEH C18 column (50 × 2.1 mm, 1.7 μm) by gradient elution mode, using acetonitrile-water containing 0.1% formic acid as mobile phase at the flow rate of 0.2 mL/min. Accurate mass measurement for molecular ions and characteristic fragment ions could represent identification criteria for these compounds. As a result, 95 compounds including triterpene acids, triterpene saponins, flavonoids, coumarins, coumestans, benzofurans, phenylpropanoids and sesquiterpenoid lactones were detected, and 90 of them were tentatively identified. All compounds were further assigned in the individual raw material. In conclusion, the UPLC-LTQ-Orbitrap-MS/MS is a highly efficient technique to separate and identify constituents in complex matrices of TCMs. These results obtained in this research will provide a basis for quality control and further in vivo study of LGZGD.
authors.affiliation: School of Pharmacy, Shenyang Pharmaceutical University, Shenyang 110016, China.
authors.forename: Pei
authors.initials: P
authors.lastname: Wang
authors.affiliation: Laboratory for High-Resolution Mass Spectrometry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
authors.forename: Bo
authors.initials: B
authors.lastname: Wang
authors.affiliation: School of Pharmacy, Shenyang Pharmaceutical University, Shenyang 110016, China.
authors.forename: Jingyao
authors.initials: J
authors.lastname: Xu
authors.affiliation: Department of Natural Medicinal Chemistry, China Pharmaceutical University, Nanjing 210009, China.
authors.forename: Jianbo
authors.initials: J
authors.lastname: Sun
authors.affiliation: Department of Oncology, Laizhou Traditional Chinese Medicine Hospital, Laizhou 261400, China.
authors.forename: Qin
authors.initials: Q
authors.lastname: Yan
authors.affiliation: School of Pharmacy, Shenyang Pharmaceutical University, Shenyang 110016, China.
authors.forename: Bin
authors.initials: B
authors.lastname: Ji
authors.affiliation: School of Pharmacy, Shenyang Pharmaceutical University, Shenyang 110016, China.
authors.forename: Yunli
authors.initials: Y
authors.lastname: Zhao
authors.affiliation: School of Pharmacy, Shenyang Pharmaceutical University, Shenyang 110016, China zhiguo-yu@163.com.
authors.forename: Zhiguo
authors.initials: Z
authors.lastname: Yu
mesh_terms: D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D003374:Coumarins / Q000032:analysis / Q000737:chemistry; D005419:Flavonoids / Q000032:analysis / Q000737:chemistry; D010936:Plant Extracts / Q000032:analysis* / Q000737:chemistry*; D012503:Saponins / Q000032:analysis / Q000737:chemistry; D053719:Tandem Mass Spectrometry / Q000379:methods*; D014315:Triterpenes / Q000032:analysis / Q000737:chemistry
chemical_list: D003374:Coumarins; D005419:Flavonoids; D010936:Plant Extracts; D012503:Saponins; D014315:Triterpenes; C457640:ling-gui-zhu-gan decoction