Application of characteristic fragment filtering with ultra high performance liquid chromatography coupled with high‐resolution mass spectrometry for comprehensive identification of components in Schisandrae chinensis Fructus
| Autor: | Yang Xu, Xiaoyan Gao, Chanjuan Yu, Ziye Xie, Meiling Wang |
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| Rok vydání: | 2019 |
| Předmět: |
Chromatography
Chemical substance Molecular Structure Plant Extracts 010405 organic chemistry Chemistry 010401 analytical chemistry Filtration and Separation Structure type Tandem mass spectrometry Mass spectrometry 01 natural sciences 0104 chemical sciences Analytical Chemistry Pharmacodynamic Study Tandem Mass Spectrometry Ultra high performance Plant Structures Target database Reference standards Chromatography High Pressure Liquid Schisandra |
| Zdroj: | Journal of Separation Science. 42:1323-1331 |
| ISSN: | 1615-9314 1615-9306 |
| Popis: | An integrated strategy of characteristic fragment filtering combined with target database screening based on ultra-high-performance liquid chromatography coupled with high-resolution mass spectrometry was proposed for comprehensive profiling of components in Schisandrae chinensis Fructus. The strategy consisted of following five steps: (1) Representative standards were analyzed by ultra high performance liquid chromatography coupled with linear ion trap-Orbitrap mass spectrometer for characteristic fragments and fragmentation rules of each structure type. (2) The raw data of 70% methanol extract was collected by ultra high performance liquid chromatography quadrupole time-of-flight tandem mass spectrometry. (3) The chemical components database that consisted of names, chemical formulas and structures of potential components in Schisandrae chinensis Fructus was established by summarizing previous literature to screen the collected liquid chromatography with mass spectrometry data and obtain matched compounds. (4) Characteristic fragments, literature, and reference standards were used to verify the matches. (5) Characteristic fragment filtering combined with online database querying was used to deduce potential new compounds. As a result, a total of 94 compounds were identified or characterized and 16 of them were potential new compounds. The study provided a reference for comprehensive characterization of ingredients in herbal medicine and formed the foundation for pharmacodynamic study of Schisandrae chinensis Fructus. |
| Databáze: | OpenAIRE |
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