Global identification and quantitative analysis of chemical constituents in traditional Chinese medicinal formula Qi-Fu-Yin by ultra-high performance liquid chromatography coupled with mass spectrometry

Li, Meng-Ning; Dong, Xin; Gao, Wen; Liu, Xinguang; Rui, Wen; Li, Ping; Yang, Hua

doi:10.1016/j.jpba.2015.05.030

Cited by 29 publications

(18 citation statements)

References 32 publications

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“…G f 13, G f 15 and G f 16 were identified as licoflavonol, isolicoflavonol and 6‐prenyleriodictyol by comparing the MS/MS data and chromatographic behaviors ( C log P values, 4.00, 4.05 and 4.21, respectively) with the previous reports . In negative ion mode, 11 flavonoid glycosides (G f 21∼G f 28, G f 1, G f 3 and G f 5) in XSLJZJJ were tentatively characterized. G f 1 (liquiritin) provided the quasi‐molecular ion at m/z 417.1176 [M–H] – , the MS 2 spectrum showed the fragment ion at m/z 255.1 [M–H–Glc] – .…”

Section: Resultsmentioning

confidence: 88%

“…11 compounds were unambiguously identified by comparing with reference standards. For other compounds, the structures were tentatively identified by comparing with previous studies , according to accurate mass, MS/MS data, fragmentation rules and chromatographic behavior. However, the trace peaks in the single herbs might be missed in the TCM formula.…”

Section: Resultsmentioning

confidence: 99%

“…[37,38]. In negative ion mode, 11 flavonoid glycosides (G f 21ßG f 28, G f 1, G f 3 and G f 5) [10,40] in XSLJZJJ were tentatively characterized. Fig.…”

Section: Compounds From Yanhusuomentioning

confidence: 99%

“…. In positive ion mode, 20 compounds[10,11,35,36,39] including five flavonoid glycosides(G f 1, G f 3ßG f 6) and fifteen flavonoid aglycones (G f 2, G f 7ßG f 20) were detected. The successive neutral losses of C 6 H 10 O 5 (-Glc/162 Da), H 2 O(18 Da), ·CH 3 (15 Da), ·OCH 3 (31 Da) or CO(28 Da) and the RDA cleavage were easily observed.…”

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confidence: 99%

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Identification of chemical constituents in traditional Chinese medicine formula using HPLC coupled with linear ion trap-Orbitrap MS from high doses of medicinal materials to equivalent doses of formula: Study on Xiang-Sha-Liu-Jun-Zi-Jia-Jian granules

et al. 2016

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High-resolution mass spectrometry has been a powerful tool for the research of chemical constituents in traditional Chinese medicine (TCM) formulas. However, the chromatographic peaks were difficult to discriminate clearly in data collection or analysis because of the complexity and the greatly different content of the constituents in TCM formula, which increased the difficulty of identification. In this study, a high-performance liquid chromatography coupled with linear ion trap-Orbitrap mass spectrometry based strategy focused on the comprehensive identification of TCM formula constituents was developed. Identification was carried out from a high dose of medicinal materials to equivalent dose of formula. Meanwhile, combined with mass spectrometry data, chromatographic behaviors, reference standards and previous reports, the identification of constituents in Xiang-Sha-Liu-Jun-Zi-Jia-Jian granules was described. 169 compounds were unambiguously or tentatively characterized, mainly including flavonoids, alkaloids, triterpenic acids, triterpene saponins, lactones, sesquiterpenoids and some other compounds. Among them, 11 compounds were unambiguously confirmed by comparing with reference standards. These results demonstrated that the method was effective and reliable for comprehensive identification of constituents of Xiang-Sha-Liu-Jun-Zi-Jia-Jian granules extracts and reveal the material basis of its therapeutic effects. This strategy might propose a research idea for the characterization of multi-constituents in TCM formula.

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Section: Resultsmentioning

confidence: 88%

Section: Resultsmentioning

confidence: 99%

“…[37,38]. In negative ion mode, 11 flavonoid glycosides (G f 21ßG f 28, G f 1, G f 3 and G f 5) [10,40] in XSLJZJJ were tentatively characterized. Fig.…”

Section: Compounds From Yanhusuomentioning

confidence: 99%

mentioning

confidence: 99%

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Identification of chemical constituents in traditional Chinese medicine formula using HPLC coupled with linear ion trap-Orbitrap MS from high doses of medicinal materials to equivalent doses of formula: Study on Xiang-Sha-Liu-Jun-Zi-Jia-Jian granules

et al. 2016

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“…In recent years, hyphenated techniques are powerful tools for rapid online qualitative analysis of unknown compounds in complex matrix [5][6][7], especially LC-Q-TOF-MS because of its high resolution and sensitivity [8][9][10][11][12]. Normally, TCMs contain more than tens to hundreds or even thousands of components, and abundant information was generated by numerous MS ions from any components as well as matrix in the detection of herbal extracts.…”

Section: Introductionmentioning

confidence: 99%

Development of a systematic strategy for the global identification and classification of the chemical constituents and metabolites of Kai‐Xin‐San based on liquid chromatography with quadrupole time‐of‐flight mass spectrometry combined with multiple data‐processing approaches

Wang

Liu

Yang

et al. 2018

J of Separation Science

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To rapidly identify and classify complicated components and metabolites for traditional Chinese medicines, a liquid chromatography with quadrupole time-of-flight mass spectrometry method combined with multiple data-processing approaches was established. In this process, Kai-Xin-San, a widely used classic traditional Chinese medicine preparation, was chosen as a model prescription. Initially, the fragmentation patterns, diagnostic product ions and neutral loss of each category of compounds were summarized by collision-induced dissociation analysis of representative standards. In vitro, the multiple product ions filtering technique was utilized to identify the chemical constituents for globally covering trace components. With this strategy, 108 constituents were identified, and compounds database was successfully established. In vivo, the prototype compounds were extracted based on the established database, and the neutral loss filtering technique combined with the drug metabolism reaction rules was employed to identify metabolites. Overall, 69 constituents including prototype and metabolites were characterized in rat plasma and nine constituents were firstly characterized in rat brain, which may be the potential active constituents resulting in curative effects by synergistic interaction. In conclusion, this study provides a generally applicable strategy to global metabolite identification for the complicated components in complex matrix and a chemical basis for further pharmacological research of Kai-Xin-San.

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High‐performance liquid chromatography coupled with tandem mass spectrometry technology in the analysis of Chinese Medicine Formulas: A bibliometric analysis (1997–2015)

Zhu

et al. 2016

J of Separation Science

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There is a recognized challenge in analyzing traditional Chinese medicine formulas because of their complex chemical compositions. The application of modern analytical techniques such as high-performance liquid chromatography coupled with a tandem mass spectrometry has improved the characterization of various compounds from traditional Chinese medicine formulas significantly. This study aims to conduct a bibliometric analysis to recognize the overall trend of high-performance liquid chromatography coupled with tandem mass spectrometry approaches in the analysis of traditional Chinese medicine formulas, its significance and possible underlying interactions between individual herbs in these formulas. Electronic databases were searched systematically, and the identified studies were collected and analyzed using Microsoft Access 2010, Graph Pad 5.0 software and Ucinet software package. 338 publications between 1997 and 2015 were identified, and analyzed in terms of annual growth and accumulated publications, top journals, forms of traditional Chinese medicine preparations and highly studied formulas and single herbs, as well as social network analysis of single herbs. There is a significant increase trend in using high-performance liquid chromatography coupled with tandem mass spectrometry related techniques in analysis of commonly used forms of traditional Chinese medicine formulas in the last 3 years. Stringent quality control is of great significance for the modernization and globalization of traditional Chinese medicine, and this bibliometric analysis provided the first and comprehensive summary within this field.

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Global identification and quantitative analysis of chemical constituents in traditional Chinese medicinal formula Qi-Fu-Yin by ultra-high performance liquid chromatography coupled with mass spectrometry

Cited by 29 publications

References 32 publications

Identification of chemical constituents in traditional Chinese medicine formula using HPLC coupled with linear ion trap-Orbitrap MS from high doses of medicinal materials to equivalent doses of formula: Study on Xiang-Sha-Liu-Jun-Zi-Jia-Jian granules

Identification of chemical constituents in traditional Chinese medicine formula using HPLC coupled with linear ion trap-Orbitrap MS from high doses of medicinal materials to equivalent doses of formula: Study on Xiang-Sha-Liu-Jun-Zi-Jia-Jian granules

Development of a systematic strategy for the global identification and classification of the chemical constituents and metabolites of Kai‐Xin‐San based on liquid chromatography with quadrupole time‐of‐flight mass spectrometry combined with multiple data‐processing approaches

High‐performance liquid chromatography coupled with tandem mass spectrometry technology in the analysis of Chinese Medicine Formulas: A bibliometric analysis (1997–2015)

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