Comprehensive analysis method for chemical components of compound Xiling detoxification preparation

Abstract

The invention aims at taking phenolic acids, flavonoids and triterpenoids chemical components in a compound Xiling detoxification capsule or a compound Xiling detoxification tablet as research objectsand realizing comprehensive and rapid separation and identification of the chemical components of the compound Xiling detoxification capsule or the compound Xiling detoxification tablet on the basisof a UPLC-Q-TOF-MS analytical instrument and an analysis strategy of target precursor ions. The research comprises the following steps: firstly, carrying out information integration on phenolic acid,flavone and triterpenoids in the compound Xiling detoxification capsule or tablet according to literature, and summarizing structural characteristics and structural change rules of the compound Xilingdetoxification capsule or tablet; and performing mass spectrometry on each representative compound with different structural characteristics, and summarizing a mass spectrometry cracking rule and a neutral loss rule; then, taking a representative compound as a core, and constructing a target precursor ion list according to the structure change rule of each type of compound; and finally, analyzingthe cracking mode and the neutral loss rule of the target precursor ions by adopting secondary mass spectrometry, verifying the correctness of the target precursor ions, and comprehensively analyzingthe mass spectrometry, the retention time and other information to comprehensively and quickly analyze the chemical components in the compound Xiling detoxification capsule or tablet.

Description

technical field [0001] The invention relates to a method for identifying chemical components in traditional Chinese medicine preparations, which is based on UPLC-Q-TOF-MS technology to realize comprehensive and rapid separation and identification of chemical components in compound Xilingjiedu capsules or tablets. Background technique [0002] Compound Xiling Jiedu Capsules and Tablets are composed of honeysuckle, forsythia, bellflower, nepeta, burdock (stir-fried), licorice, light bamboo leaves, menthol, peppermint oil, light tempeh, antelope horn, buffalo horn concentrated powder and borneol. Composed of 13 traditional Chinese medicines, it has the functions of dispelling wind, relieving the exterior, clearing away heat and detoxifying. It is clinically used to treat exogenous wind-heat, fever, headache, hoarse cough and sore throat. According to literature reports, its components are mainly phenolic acids, flavonoids, and triterpenoids. [0003] Traditional Chinese medici...

AI Technical Summary

Problems solved by technology

However, these data post-processing technologies are developed based on a single component of chemical medicine, and have limited ability to identify trace components and co-eluting components, and cannot comprehensively identify and identify complex components of traditional Chinese medicine with various structural types

There are at least three problems: 1) Due to the co-elution of compounds and the complexity of mass spectrometry data in the separation process of traditional Chinese medicine, it is easy to ignore the mass spectrometry signals of trace components in the analysis process; 2) the current analysis strategy is generally to directly summarize the literature Existing compound information cannot be analyzed to obtain new compounds through confirmatory analysis; 3) Due to the lack of a reasonable data processing strategy, the chemical components in traditional Chinese medicine cannot be fully analyzed, and generally only a few dozens of compounds can be analyzed

Because the mass spectrometry information of a large number of trace components is lost in the data processing process, most studies can only identify dozens of chemical components from traditional Chinese medicine, and it is difficult to discover new compounds

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