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Ultra high performance liquid chromatography with synapt high‐definition mass spectrometry and a pattern recognition approach to characterize chemical constituents and rat metabolites after the oral administration of Phellinus igniarius
Author(s) -
Dong Yu,
Wang Huiyu,
Zhang Yang,
An Na,
Zhang Yue,
Shou Dan
Publication year - 2015
Publication title -
journal of separation science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.72
H-Index - 102
eISSN - 1615-9314
pISSN - 1615-9306
DOI - 10.1002/jssc.201401293
Subject(s) - partial least squares regression , chromatography , chemistry , mass spectrometry , glucuronidation , high performance liquid chromatography , principal component analysis , biochemistry , artificial intelligence , statistics , mathematics , computer science , enzyme , microsome
Phellinus igniarius has antibacterial, antiviral, antioxidative, antitumor, and antimutagenic effects. In this study, an integrative pattern recognition approach using principal component analysis and orthogonal partial least squares discriminant analysis was successfully applied for the rapid analysis of natural compounds in traditional Chinese medicine. An ultra high performance liquid chromatography with synapt high‐definition mass spectrometry method and MassLynx software was used. This method employed gradient elution to rapidly analyze and characterize chemical constituents and metabolites after the oral administration of a P. igniarius ethanol extract. There were 24 peaks within 10 min of the analysis time and 20 of these were identified or tentatively characterized on the basis of their fragmentation behaviors. In the S‐plot of the orthogonal partial least squares discriminant analysis, 27 ions were extracted to make the serum. Among them, nine absorbed the prototype components and 18 metabolites were identified in vivo. Glucuronidation, oxidation, and methylation were the major metabolic reactions. This study is the first systematic analysis and characterization of the chemical constituents and metabolites in an ethanol extract of P. igniarius . This method can be applied to the rapid analysis and characterization of constituents in rat serum after the oral administration of other compounds used in traditional Chinese medicines.