Material Analysis With Chromatography–Mass Spectrometry Peak Matching
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Solution Overview
Problem
Chromatography and mass spectrometry methods struggle to accurately identify and separate target materials due to varying detection times and mass-to-charge ratios, requiring sophisticated databases that are not always available, and manual protocol selection is inefficient.
Innovation Solution
A method and system that automates the analysis of chromatography data and mass spectra to identify target materials by assigning peaks based on mass patterns and ion counts, iteratively adjusting protocols for optimal separation, and integrating chromatography and mass spectrometry for accurate material identification.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Productivity
If manual protocol selection is used for chromatography analysis, then flexibility in method adjustment is maintained, but analysis efficiency and time consumption are reduced
Solution Approach 1:
The system performs self-service by automatically selecting optimization protocols based on mass spectrum data without requiring manual intervention. The automated protocol selection unit analyzes mass spectrum characteristics and autonomously determines the most suitable chromatography protocol, eliminating the need for manual method adjustment while maintaining adaptability.
Solution Approach 2:
The system changes operational parameters by adjusting chromatography protocol parameters based on mass spectrum analysis results. The automated protocol selection dynamically modifies separation conditions such as flow rate, gradient profile, and column temperature to optimize target material identification, transforming static manual protocols into dynamic adaptive processes.
2Measurement precision
If extensive databases are used for material identification, then identification accuracy is improved, but resource consumption and analysis time increase
Solution Approach 1:
The system extracts only the essential mass spectrum data of the target material from the complex database without requiring exhaustive searches. By focusing on characteristic mass-to-charge ratios and ion count patterns specific to the target compound, the system achieves accurate identification while minimizing database query time and computational resources.
Solution Approach 2:
The system performs partial action by analyzing only the necessary mass spectrum parameters (specific mass-to-charge ratios and ion counts) rather than processing the entire mass spectrum or searching through all database entries. This selective approach provides sufficient information for accurate identification without the overhead of comprehensive analysis.
3Measurement precision
If sophisticated databases are required for accurate separation, then separation accuracy is improved, but device complexity and operational difficulty increase
Solution Approach 1:
The automated protocol selection unit serves as an intermediary between the mass spectrum data and the chromatography protocol selection. It processes the mass spectrum information and translates it into appropriate protocol parameters, simplifying the interface between data analysis and separation execution while maintaining high separation accuracy through intelligent intermediate processing.
Applied Scientific Principles
This section explains which scientific principles are used to turn an abstract innovation direction into a practical engineering solution.
Function Achieved in This Case
Facilitates automated and efficient material analysis by reducing time and resource consumption, enabling accurate peak identification without relying on extensive databases, and optimizing separation protocols for improved analysis results.
Implementation Method 1
Chromatography may be configured to measure a sample injected into a measuring device by separating the sample over time through an interaction between a mobile phase and a stationary phase
Implementation Method 2
Mass spectrometry may refer to a method of analyzing a particle based on a mass-to-charge ratio
Data Source
AI summary
A sample analysis method includes obtaining chromatography data of a plurality of separated materials that are separated from a sample, obtaining mass spectra corresponding to first peaks of the chromatography data, determining, based on the obtained mass spectra, at least one peak corresponding to a target material from the first peaks of the chromatography data, and selecting a protocol for separating the sample based on a result of analyzing the at least one peak corresponding to the target material.