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

A technology of chemical components and traditional Chinese medicine, which is applied in the field of searching for specific components of traditional Chinese medicine, can solve the problems of difficulty in enrichment of trace or even trace components, insufficient fingerprint characterization information, low efficiency of separation and purification, etc., and achieve high identification efficiency and accuracy High, high recognition efficiency

Inactive Publication Date: 2018-06-12
DALIAN INST OF CHEM PHYSICS CHINESE ACAD OF SCI
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  • Abstract
  • Description
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  • Application Information

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

Method used

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

Examples

Experimental program
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Effect test

experiment example 1

[0021] Experimental Example 1: Specific compound analysis of red ginseng and sun-dried ginseng

[0022] Preparation of traditional Chinese medicine sample solution

[0023] Accurately weigh 100mg of each medicinal material dry powder, add 0.5ml of methanol with a volume concentration of 50% to each medicinal material powder, ultrasonically extract for 15 minutes, centrifuge for 5 minutes, take the supernatant, repeat the extraction once, combine the supernatant twice and filter through 0.22um membrane and collect the filtrate.

[0024] Ultra-high performance liquid chromatography-mass spectrometry analysis

[0025] The full-spectrum analysis of the samples was performed using an Agilent 1290 ultra-high performance liquid chromatography system (Agilent, Waldbronn, Germany) connected in series with a 6520Q-TOF-MS (Agilent Corp, USA). The experiment uses Agilent's ZORBAX EclipsePlus C18 column (3.0*150mm, 1.8um), mobile phase A is water (0.5% acetic acid), B phase is acetonitri...

experiment example 2

[0029] Experimental Example 2: Specific compound analysis of raw sun-dried ginseng and American ginseng

[0030] Preparation of traditional Chinese medicine sample solution

[0031]Accurately weigh 100mg of each medicinal material dry powder, add 0.5ml of methanol with a volume concentration of 50% to each medicinal material powder, ultrasonically extract for 15 minutes, centrifuge for 5 minutes, take the supernatant, repeat the extraction once, combine the supernatant twice and filter through 0.22um membrane and collect the filtrate.

[0032] Ultra-high performance liquid chromatography-mass spectrometry analysis

[0033] The full-spectrum analysis of the samples was performed using an Agilent 1290 ultra-high performance liquid chromatography system (Agilent, Waldbronn, Germany) connected in series with a 6520Q-TOF-MS (Agilent Corp, USA). The experiment uses Agilent's ZORBAX EclipsePlus C18 column (3.0*150mm, 1.8um), mobile phase A is water (0.5% acetic acid), B phase is ac...

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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...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G01N30/88
CPCG01N30/88G01N2030/8809
Inventor 张晓哲赵楠
Owner DALIAN INST OF CHEM PHYSICS CHINESE ACAD OF SCI
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