Qualitative and quantitative analysis of multiple components for quality control of Deng‐Zhan‐Sheng‐Mai capsules by ultra high performance liquid chromatography tandem mass spectrometry method coupled with chemometrics

Abstract

Deng-Zhan-Sheng-Mai capsules are a well-known traditional Chinese patent medicine that was developed in China for the treatment of ischemic stroke. Its quality control focuses on Erigerontis Herba but ignores the contributions of Ginseng Radix et Rhizoma, Schisandrae Chinensis Fructus, and Ophiopogonis Radix. To improve the quality standards for this medicine, this work reports the application of a systematic ultra high performance liquid chromatography tandem mass spectrometric method coupled with chemometrics. Three qualitative and quantitative parameters are established for the evaluation of quality: chemical profiling, the relationship between the contents of 18 compounds and the antioxidant activity, and chemometric analysis. A total of 55 compounds, including 20 phenolic acids, 10 flavonoids, 15 saponins, and 10 lignans, were identified. The method for the quantitative determination of the aforementioned 18 compounds was validated. The limit of quantification ranged from 0.13 to 9.60 ng/mL. The overall recoveries ranged from 95.31 to 103.54%. Hierarchical cluster analysis and principal component analysis were applied to the data of 18 components in ten batches of samples. Nine compounds, including scutellarin, 3,5-O-dicaffeoylquinic acid, 4,5-O-dicaffeoylquinic acid, ginsenoside Rb1, ginsenoside Re, ginsenoside Rg1, ophiopogonin D, schisandrin, and schisandrol B, are suggested as chemical markers for evaluating the quality.

Rapid characterization and identification of the chemical constituents and rat metabolites of Deng‐Zhan‐Xi‐Xin injection using ultra high performance liquid chromatography coupled with quadrupole time‐of‐flight mass spectrometry

“…The product ion of m/z 285.0393 corresponded to the loss of GluA (176 Da), and the fragment ions at m/z 257.0398, 241.0446, and 267.0292 corresponded to [M–H–GluA–CO] – , [M–H–GluA–CO 2 ] – , and [M–H–GluA–H 2 O] – , respectively. The fragment ion at m/z 267.0292 further generated the product ions at m/z 239.0330 and 211.0414 by successive losses of CO. Next, the product ions at m/z 213.0573, 195.0473, and 167.0500 were produced by successive losses of CO, H 2 O and CO, respectively, from the fragment ion at m/z 241.0446 . Two groups of isomers with [M–H] – ions at m/z 477.0670 and 475.0878 including quercetin‐7‐ O ‐glucuronide ( 19 ), quercetin‐3‐ O ‐glucuronide ( 21 ) and galetin‐3‐ O ‐glucuronide ( 22 ), kaempferid‐7‐ O ‐glucuronide ( 33 ) and kaempferid‐3‐ O ‐glucuronide ( 35 ) were detected and tentatively identified according to their retention time and fragmentation patterns in the literature .…”

“…Compound 4 exhibited the [M–H] – ion at m/z 397.0770 and the fragmentation ion at m/z 235.0468 after losing a unit of caffeoyl, which indicated that it belongs to the COA group. Finally, 11 compounds ( 3 , 6 , 9 , 12 , 17 , 26 , 27 , 34 , 36 , 37 , and 39 ) belonging to the CQA group, seven compounds ( 11 , 14 , 15 , 28 , 29 , 32 , and 38 ) belonging to the CDOA group and five compounds ( 4 , 7 , 10 , 24 , and 25 ) belonging to the COA group were tentatively or unambiguously characterized based on the characteristic fragment ions, fragmentation patterns, and related literatures . In addition, the compounds 3 , 6 , 9 , 12 , 17 , 26 , 27 , 28 , and 34 were unambiguously identified by the reference standards.…”

Characterization of chemical constituents and absorbed components, screening the active components of gelanxinning capsule and an evaluation of therapeutic effects by ultra‐high performance liquid chromatography with quadrupole time of flight mass spectrometry

“…It is useful to note the quality of herbs is the safeguard of the effectiveness and safety of herbs in traditional medicines [28][29][30][31]. Increasing public awareness and scientific interest has carried on research towards the establishment of the quality of traditional medicines research and quality standards, which as complex system engineering due to different methods and different opinions [32][33][34][35][36][37][38][39][40][41]. Quality marker (Q-marker), a new promise concept on QC, is chemical substances from herbal medicine and products such as tablet, decoction, and extract that are closely related to the functional properties of traditional medicines, which are inherent or formed in the process of preparation as markers of safety and effectiveness for QC.…”

Rapid characterization of chemical constituents and metabolites of Qi‐Jing‐Sheng‐Bai granule by using UHPLC–Q‐TOF‐MS

“…Chemical analysis is the basis to appreciate those multiple phytochemicals and metabolites of TCM formulas. Thus, a rapid and reliable method for comprehensive identification of the chemical constituents and metabolites is needed for the modernization of TCM formula .…”