Universal method for rapid detection and structural identification for Chinese traditional medicine complex component

Abstract

The invention belongs to the pharmaceutical field and relates to the fast detection and structural identification of complex components of the traditional Chinese medicine. The invention provides a commonality method for the fast detection and structural identification of the complex components of the traditional Chinese medicine, which comprises the following steps: 1. the extraction of all the components; 2. mass spectrometric analysis; 3. determining the main components; 4. multi-stage mass spectrum data acquisition; 5. determining diagnosis ions and the components are grouped according to the diagnosis; 6. connecting all the groups into a component network by bridging components; 7. carrying out database search by predicting chemical formulas and obtaining a candidate structure set of each component; 8. firstly identifying the component with the least candidate structure in the group with the most components, according to that, analyzing the structure of the group of diagnosis ions, then screening the candidate structure of other components in the group by taking the diagnosis ions as standards, carrying out identification, finally obtaining the structure of all the diagnosis ions by the bridging components and further identifying all the components in the component network; and 9. identifying the components which are not grouped and separated from the component network by the continuous screening of specific neutral loss.

Description

technical field [0001] The invention belongs to the field of pharmacy and relates to the rapid detection and structure identification of complex components of traditional Chinese medicines, in particular to a structure identification method for unknown components in Mailuoning injection. Background technique [0002] Traditional Chinese medicine is the traditional treasure of the Chinese nation, which has made great contributions to the health and reproduction of the Chinese nation. It is also the most advantageous and distinctive discipline in the field of natural science in the world. As we all know, the composition analysis of traditional Chinese medicine is a key step to reveal the material basis of its medicinal effect, which is of great significance to the quality control of traditional Chinese medicine preparations. However, the chemical composition of traditional Chinese medicine preparations is very complex, with the characteristics of multi-component, multi-target,...

AI Technical Summary

Problems solved by technology

However, it is found in the research that dozens or even hundreds of candidate structures of an unknown compound of a traditional Chinese medicine can be obtained through chemical formula search. It is very time-consuming to screen out the real structure, which greatly increases the difficulty of research and is not conducive to general promotion.

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