Computer-aided analysis system and method for components of polymer type pharmaceutical excipients

Abstract

The invention discloses a computer-aided analysis system and method for components of polymer type pharmaceutical excipients. The method comprises the following steps of creating a polymer sample database; collecting to-be-measured sample data; inputting data; identifying first-level mass spectrometry ion peak of first-level mass spectrometry data of a to-be-measured sample, and matching the first-level mass spectrometry ion peak with a first-level mass spectrometry database of the sample; identifying first-level mass spectrometry ion peak meeting matching conditions, and matching preservationtime of the first-level mass spectrometry ion peak meeting matching conditions with first-level mass spectrometry database of the sample; extracting first-level mass spectrometry ion peak data meeting matching conditions, calculating actual isotope abundance distribution, and matching the actual isotope abundance distribution with a sample isotope theoretical abundance distribution database and scoring; and outputting a to-be-measured sample component analysis result. Through adoption of the analysis system and method, the components of the polymer type pharmaceutical excipients can be analyzed comprehensively, rapidly and accurately, and solves the problems of time consuming and misjudging in manual analysis.

Description

technical field [0001] The invention relates to the field of chemical analysis, in particular to a computer-aided analysis system and method for the components of polymer-based pharmaceutical excipients. Background technique [0002] Pharmaceutical excipients refer to the excipients and additives used in the production of drugs and the preparation of prescriptions. They are substances other than active ingredients or precursors that have been reasonably evaluated in terms of safety and are contained in pharmaceutical preparations (China Pharmacopoeia of the People's Republic of China, 2015 Edition, Volume Four, 32). [0003] As an inactive substance, in addition to excipients, acting as a carrier, and improving stability, pharmaceutical excipients also have important functions such as solubilization, dissolution aid, and release regulation, which may affect the quality, safety, and effectiveness of the preparation. important ingredients. For example, polymer-based pharmace...

AI Technical Summary

Problems solved by technology

However, the amount of experimental data used by high-resolution liquid chromatography-mass spectrometry is large, and the analysis process is complicated. Analysts will spend a lot of time and energy manually analyzing the data, which is prone to subjective judgment errors, cannot guarantee the accuracy of the analysis results, and is not conducive to analysis. Reproducibility of the method generalization

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