Mass Spectrometry File Analysis for Automated Compound Peak Extraction
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Solution Overview
Problem
Current mass spectrometry systems require significant manpower and time for manual analysis of compound detection, leading to inefficiencies and errors due to human oversight, and training qualified examiners takes 2 to 3 years, resulting in frequent shortages.
Innovation Solution
A compound mass spectrometry analysis system comprising a mass spectrometer, client computer, and server that automates the analysis of mass spectrometry files, including modules for reading, format conversion, filtering, and calculating signal-to-noise ratio, to extract and plot characteristic peaks of compounds.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If manual analysis of mass spectrometry files is performed by examiners, then accurate compound detection can be achieved, but significant manpower and time are required, leading to inefficiency
Solution Approach 1:
The system enables self-service automated analysis where the mass spectrometry analysis system automatically processes mass spectrometry files, extracts compound information, and generates analysis results without requiring manual examiner intervention for each file, thereby improving efficiency while maintaining accuracy
Solution Approach 2:
The patent replaces the mechanical manual analysis process with an automated computer-based system that uses algorithms to read, parse, and analyze mass spectrometry data, substituting human examiners with automated processing to eliminate time consumption while preserving detection accuracy
2Measurement precision
If manual analysis is performed by human examiners, then characteristic peak data can be extracted, but human oversight increases the likelihood of errors
Solution Approach 1:
The automated system implements consistent algorithmic processing that applies the same analysis criteria to all mass spectrometry files, eliminating human variability and oversight errors, thereby improving reliability and consistency of analysis results across different samples and examiners
3Reliability
If comprehensive training is provided to examiners, then qualified examiners can perform independent analysis, but training takes 2 to 3 years, resulting in frequent shortages
Solution Approach 1:
The automated analysis system performs the complex analysis functions that previously required years of examiner training, allowing operators to independently conduct compound detection without extensive training, thereby eliminating the 2-3 year training bottleneck while maintaining analysis capability
4Productivity
If automated analysis system is implemented, then processing speed and efficiency are improved, but system complexity increases
Solution Approach 1:
The automated analysis system is designed as an integrated multi-functional platform that combines file reading, data parsing, compound identification, and result generation in a single system, handling multiple analysis tasks simultaneously to improve productivity while managing complexity through functional integration
Data Source
AI summary
A compound mass spectrometry analysis system includes a mass spectrometer, a client computer connected to the mass spectrometer, and a server connected to the client computer. The mass spectrometer is used to test a sample solution and correspondingly generate a mass spectrometry file on the client computer. The client computer is responsible for transmitting the mass spectrometry file to the server, which contains a data reading module. This data reading module is designed to extract the name of each compound, multiple ion pairs, and all corresponding peaks from the mass spectrometry file associated with the sample solution.