Exploration of chemical composition and absorption characteristics of Chaigui Granules based on UHPLC-Q-orbitrap-MS/MS

Abstract Established qualitative analysis method for Chaigui Granules based on UHPLC-Q-orbitrap-MS/MS and applied to its absorption properties studies. The LC-MS method was established to identify the structures of the components and metabolites. And then biosamples of rats after administration, eg intestinal solution, serum and brain microdialysate, were detected in rats with same method. Xcalibur 3.2 software was used for mass spectrum analysis and identification. Compound discover 3.0 was used for metabolite analysis. 95 chemical constituents were identified from Chaigui Granules, including sesquiterpenes, flavonoids, lactones, tannins, organic acids, saponins and so on. 82 components and 11 metabolites were found in intestinal solution. 28 chemical constituents and 32 metabolites were found in serum. 15 chemical constituents were found in brain microdialysate. Vanillic acid, abiflorin, Paeoniflorin, 4-Hydroxybenzoic acid, Lactiflorin, Z-Butylidenephthalide, saikosaponin c, saikosaponin a, atractylenolide Ⅲ, saikosaponin g, saikosaponin b1, sesquiterpenes, butylphthalide and saikosaponin d directly passes through the blood-brain barrier, which might be speculated that Chaigui Granule plays an antidepressant role mainly through regulating brain central mechanism and endocrine mechanism, and so on. It is a systematically applicable approach for rapid identification and relative quantitation of Chaigui Granules in vivo by UHPLC-Q-orbitrap-MS/MS, provides an important basis for the safety evaluation and rational clinical application of Chaigui Granules.