Chromatograph Mass Spectrometer Data Processing Correcting Signal Saturation

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Solution Overview

Problem

Conventional chromatograph mass spectrometers face challenges in accurately analyzing samples with significantly different component concentrations due to signal distortion and saturation, leading to inefficient analysis requiring multiple sample dilutions.

Innovation Solution

A data processing system that creates a corrected mass chromatogram by calculating a sensitivity factor based on signal intensities at different mass-to-charge ratios, allowing for accurate quantitative determination without distortion or saturation, enabling analysis of high-concentration samples without dilution and improving detection of low-concentration components.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Measurement precision

If the parameters are set to correctly detect the lowest-concentration component (impurity), then the detection sensitivity for low-concentration components is improved, but the signal of the highest-concentration component (principal component) becomes deformed or saturated

Engineering Contradiction:
Improvedetection sensitivity for low-concentration componentsVSAvoidsignal accuracy for high-concentration components
Core Design Contradiction:
Measurement precisionVSManufacturing precision

Solution Approach 1:

The patent divides the analysis into two separate analysis results: one optimized for detecting low-concentration components (impurities) with high sensitivity parameters, and another optimized for measuring high-concentration components (principal components) with parameters that prevent signal saturation. This segmentation allows each analysis to use optimal parameters for its specific concentration range without compromising the other.

Inventive Principle:
Principle #1Segmentation

Solution Approach 2:

The patent changes the detection parameters based on the concentration range of the target component. For low-concentration components, parameters are set to maximize sensitivity (lower detection thresholds, higher gain). For high-concentration components, parameters are adjusted to prevent saturation (higher detection thresholds, lower gain). The system automatically selects appropriate parameters based on the analysis target.

Inventive Principle:
Principle #35Parameter changes

2Manufacturing precision

If the parameters are set to correctly detect the highest-concentration component (principal component), then the signal accuracy for high-concentration components is improved, but the lowest-concentration component (impurity) becomes obscured by noise

Engineering Contradiction:
Improvesignal accuracy for high-concentration componentsVSAvoiddetection sensitivity for low-concentration components
Core Design Contradiction:
Manufacturing precisionVSMeasurement precision

Solution Approach 1:

The patent separates the quantitative analysis into two distinct analysis modes: one mode uses parameters optimized for high-concentration components (preventing noise interference), while another mode uses parameters optimized for low-concentration components (maximizing sensitivity). Both analysis results are generated from the same mass spectrum data, with each mode independently processed according to its concentration range requirements.

Inventive Principle:
Principle #1Segmentation

Solution Approach 2:

The system dynamically adjusts detection parameters according to the concentration level of the target component. When analyzing high-concentration components, parameters are set to prioritize signal stability and avoid noise interference. When analyzing low-concentration components, parameters are adjusted to maximize detection sensitivity even if it increases noise levels.

Inventive Principle:
Principle #35Parameter changes

3Measurement precision

If multiple samples with different concentrations are analyzed separately, then the accuracy for components with different concentrations is improved, but the analysis time increases significantly

Engineering Contradiction:
Improveaccuracy for components with different concentrationsVSAvoidanalysis time
Core Design Contradiction:
Measurement precisionVSLoss of time

Solution Approach 1:

The patent merges multiple analysis modes into a single simultaneous processing system. Both the high-concentration optimized analysis and the low-concentration optimized analysis are performed on the same mass spectrum data in parallel, generating two separate quantitative results from one analysis run. This eliminates the need for separate measurements of diluted samples while maintaining the accuracy benefits of concentration-specific parameter optimization.

Inventive Principle:
Principle #5Merging (Combining)

Data Source

PatentUS10488376B2Data processing system and program for chromatograph mass spectrometer
Publication Date: 2019.11.26 SHIMADZU CORP
  • US10488376B2 patent drawing
  • US10488376B2 patent drawing
  • US10488376B2 patent drawing

AI summary

In a chromatogram mass spectrometer's data processing system, if the intensity of a target peak originating from a target component at a target mass-to-charge ratio is equal to or higher than a threshold, the mass-to-charge ratio of a peak having a signal intensity lower than the threshold on the mass spectrum corresponding to the point in time where the target peak appears is designated as a correction mass-to-charge ratio. A mass spectrum at a point in time in the target peak where the signal intensity does not exceed the threshold is acquired. A sensitivity factor is calculated by dividing the strength at the target mass to-charge ratio on this mass spectrum by the strength at the correction mass to-charge ratio on the same spectrum. A mass chromatogram at the correction mass-to-charge ratio is created. This mass chromatogram is multiplied by the sensitivity factor to create a corrected mass chromatogram.