Tandem Mass Spectrometer Real-Time Spectrum Matching
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Solution Overview
Problem
Current mass spectrometric systems face challenges in efficiently identifying substances, particularly proteins and peptides, due to insufficient information from early-stage measurements, leading to reduced throughput and accuracy, and the need for unnecessary data processing.
Innovation Solution
A tandem mass spectrometric method that ionizes a sample, performs mass analysis, compares the spectrum with stored patterns, and selectively continues analysis only when a match is determined, allowing for efficient identification within a short time frame.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If MSn (n≥3) is carried out to obtain sufficient spectrum information for identification, then identification accuracy is improved, but measurement throughput is reduced and noise increases
Solution Approach 1:
The system performs preliminary mass analysis (MS1) and compares the obtained spectrum with reference data before proceeding to further dissociation stages. This preliminary action allows the system to identify substances that can be sufficiently characterized at MS1 level, avoiding unnecessary MS2, MS3, or higher stage measurements and thus maintaining high throughput while ensuring accurate identification when needed.
Solution Approach 2:
The system performs mass analysis to a partial extent (MS1) and evaluates whether this is sufficient for identification. Only when the preliminary analysis indicates insufficient information does the system proceed to excessive action (MS2, MS3, or higher stages). This selective approach ensures that MSn (n≥3) is performed only when necessary, balancing identification accuracy with measurement throughput.
2Reliability
If all substances are measured and processed to ensure comprehensive analysis, then identification completeness is improved, but data processing time and resource consumption increase
Solution Approach 1:
The system extracts and compares the mass spectrum data with reference data stored in a database. By taking out the essential comparison function and performing it in real-time during the measurement process, the system can quickly determine which substances have been identified and which require further analysis, thereby reducing overall data processing time while maintaining completeness.
Solution Approach 2:
The system implements a feedback mechanism where the results of mass analysis are immediately compared with reference data, and the outcome of this comparison determines the next measurement steps. This real-time feedback allows the system to adaptively continue or terminate further dissociation and measurement for each substance, optimizing both completeness and processing efficiency.
3Measurement precision
If database search and spectrum analysis are performed as post-processing, then comprehensive data evaluation is achieved, but measurement throughput is reduced due to repeated measurements being necessary
Solution Approach 1:
The system merges the database search function with the real-time measurement process. Instead of performing spectrum analysis separately as post-processing, the mass spectrum comparison with reference data is integrated into the measurement workflow, allowing immediate identification decisions to be made during the measurement itself and eliminating the need for repeated measurements.
Solution Approach 2:
The database comparison and spectrum analysis are performed as preliminary actions during the measurement process rather than as subsequent post-processing steps. This allows the system to determine identification results in real-time and adjust further measurement requirements accordingly, improving throughput while maintaining analytical accuracy.
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 approach enables high-efficiency and accurate identification of substances by determining the necessity of further analysis based on real-time spectrum matching, reducing unnecessary measurements and improving analysis throughput.
Implementation Method 1
ionizing a particular substance obtained by separating a sample; performing mass analysis of the ionized substance
Data Source
AI summary
The present invention can provide a mass spectrometric system judging whether a measurement target is a substance required by an operator within an actual measurement time, when a substance (particularly such as protein or sugar chains) is analyzed. In the mass spectrometric system using a tandem mass spectrometer, a particular substance obtained by separating a sample is ionized, and mass analysis of the ionized substance is performed to obtain a spectrum. This spectrum is compared with a particular spectrum stored in advance, to thereby determine whether both the spectra match with each other. When a match is determined, a particular ion is further ionized within a particular time for detailed analysis. The invention also provides a mass spectrometric method, a diagnosis system and an inspection system each using the mass spectrometric system, and a program for operating a computer to control those systems with desired functions.