Lookup method for specific components of traditional Chinese medicines based on visualized mass spectrometry information

Abstract

The invention discloses a lookup method for specific components of traditional Chinese medicines based on visualized mass spectrometry information. The lookup method comprises the following steps: firstly, carrying out LC-MS analysis on a sample, obtaining quality information of a compound in the sample and retaining information and signal strength; drawing a quality-time diagram of the sample, wherein each measurable compound has a specific spatial position in the diagram; generating an m / z-t-I graph representing the signal strength (I) with the size of the area, which is suitable for computer recognition, and extracting spatial information such as contour information from the graph so as to obtain sample features and compare different samples; establishing a method to obtain repeated chemical component clusters in each traditional Chinese medicine; deducting overlapping components of the chemical component clusters in the two compared medicinal materials and obtaining specific component clusters of each traditional Chinese medicine, which are different from those of the contrast traditional Chinese medicine; carrying out secondary mass spectrometry fragmentation by using the specific components as target compounds and identifying the specific components by database matching.

Description

technical field [0001] The invention relates to a search method for specific components of traditional Chinese medicine based on visualized mass spectrum information. Background technique [0002] Traditional Chinese medicine is a complex system with various structures and types of ingredients. A single Chinese medicine contains hundreds or thousands of secondary metabolites and small molecular components. The pharmacology, medicine and efficacy of traditional Chinese medicine are directly related to the chemical components contained in it. For example, raw sun-dried ginseng, red ginseng, American ginseng, and notoginseng are all derived from Araliaceae Panax, and saponins are their main active ingredients. It is a good psychoactive substance. It not only has a good anti-fatigue effect, but also can raise body temperature; red ginseng is obtained by steaming fresh ginseng at high temperature, and this steaming process also makes red ginseng relatively Raw sun-dried ginseng...

AI Technical Summary

Problems solved by technology

Extraction and separation of traditional Chinese medicine by phytochemical methods can enrich a single compound and obtain compound monomers, but the operation is cumbersome and the efficiency of separation and purification is low, especially for the enrichment of trace or even trace components. In 1984, the Chinese Medicine Research Center of the Chinese University of Hong Kong proposed The working idea of ​​carrying out the "fingerprint" identification of traditional Chinese medicine components has become the first identification method of traditional Chinese medicine fingerprints proposed at the molecular level in China, among which gas chromatography (GC) and high performance liquid chromatography (HPLC) have become the mainstays of traditional Chinese medicine fingerprint research. The mainstream method, but due to the complex chemical composition of traditional Chinese medicine, the characterization information of GC or HPLC fingerprints is not rich, and the identification is difficult; Omics pays more attention to compositional differences caused by content changes

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