Mass Spectrometer Auto-Configuration for Complex Matrix Analysis
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Solution Overview
Problem
Existing mass spectrometer systems require manual and time-consuming configuration for optimal analysis of multiple analytes in complex matrices, leading to inefficient use and error-prone processes.
Innovation Solution
An automated system that uses a controller to determine and implement optimal analysis operations for mass spectrometers based on user-provided identifiers and database information, configuring the mass analyzer for recursive analysis techniques like MRM or EPI, allowing for automatic determination of duty cycles and command signals for analyzing substances.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If manual configuration is used to optimize mass spectrometer settings for multiple analytes, then analysis accuracy can be improved, but time consumption and error probability increase significantly
Solution Approach 1:
The system performs preliminary actions by pre-configuring optimized mass spectrometer settings and storing them in a database before actual analysis. When analysis is needed, the pre-optimized parameters are automatically retrieved and applied, eliminating the need for manual real-time configuration while maintaining high analysis accuracy.
Solution Approach 2:
The system enables self-service by allowing the mass spectrometer to automatically configure its own parameters based on stored optimization data. The instrument retrieves appropriate settings from the database and applies them autonomously without requiring manual user input, thus reducing both time consumption and human error while preserving measurement precision.
2Reliability
If manual configuration commands are provided for optimal MRM analysis, then analysis quality improves, but the process becomes error-prone and time-consuming
Solution Approach 1:
The mass spectrometer system performs self-configuration by automatically retrieving and applying optimized parameters from the database based on the analyte being analyzed. This eliminates the need for users to manually input complex configuration commands, thereby maintaining high analysis quality while dramatically improving ease of operation and reducing errors.
Solution Approach 2:
The system introduces an intermediary layer (the automated configuration system with database) between the user and the mass spectrometer settings. Instead of users directly configuring parameters, they interact with a simplified interface that automatically translates their needs into optimized configurations, thus maintaining analysis quality while simplifying operation.
3Measurement precision
If multiple scannings are performed for varying m/z ratios, then detection capability improves, but analysis efficiency decreases
Solution Approach 1:
The system performs preliminary optimization of scanning parameters and duty cycles before actual analysis. By pre-determining the optimal sequence and timing of multiple scans for different m/z ratios, the system maintains high detection capability while reducing the total analysis time through efficient pre-planned scanning sequences.
Solution Approach 2:
The system dynamically adjusts the scanning sequence and duty cycles based on the specific analyte and its expected abundance. By making the multiple scanning process adaptive rather than static, the system optimizes detection capability for each analyte while improving overall analysis efficiency by focusing resources on the most relevant measurements.
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
This automation improves the efficiency and accuracy of analyzing complex matrices by reducing manual input errors and increasing the speed of analysis, enabling simultaneous detection of multiple compounds with improved signal-to-noise ratios and reduced probability of undetected peaks.
Implementation Method 1
configuring the mass spectrometer to provide suitable electromagnetic fields, for the detection of ions of varying mass-charge (m/z) ratios
Data Source
AI summary
Improved systems, apparatus, methods, and programming useful for the automated analysis of complex compounds using mass spectrometers. Systems, apparatus, methods, and programming according to the invention provide for the automatic determination by a controller 54 of a mass spectrometer 14, 214 of an analysis operation to be implemented using the mass spectrometer, the analysis operation adapted specifically for analysis of one or more substances based contained within a compound based on identification of the compound and/or substances provided by a user of the spectrometer, and a database 66 or other library of information concerning suitable processes or process steps for analyzing substances.