Ion Trap Mass Spectrum Sorting and Integration for Space Charge Correction

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Solution Overview

Problem

Ion trap mass spectrometry systems face challenges in obtaining a good mass spectrum due to variations in ion production influenced by space charges, leading to unstable peak widths and mass-to-charge ratios, especially when using MALDI ion sources, which complicates integration and analysis.

Innovation Solution

A spectrum calculation processing device that acquires, sorts, and integrates mass spectrums based on a specific physical quantity reflecting the amount of ions, allowing users to select and display spectrums in order of ion quantity, thereby eliminating the need for spectrum correction and adjustment of analysis conditions to reduce space charge influence.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Reliability

If multiple mass spectrums are integrated to improve S/N ratio, then signal quality improves, but peak width variation due to space charges prevents good integration results

Engineering Contradiction:
ImproveS/N ratioVSAvoidpeak width consistency
Core Design Contradiction:
ReliabilityVSManufacturing precision

Solution Approach 1:

The patent applies preliminary action by calculating the specific physical quantity (integral value) for each mass spectrum before integration, and sorting the spectrums in descending order of this quantity. This preliminary sorting ensures that spectrums with similar ion amounts and consistent peak widths are integrated together, preventing peak width variation issues while maintaining high S/N ratio through multiple spectrum integration

Inventive Principle:
Principle #10Preliminary action

2Measurement precision

If mass axis correction is performed based on ion accumulation amount, then mass accuracy improves, but peak width and other spectral characteristics remain affected by space charges

Engineering Contradiction:
Improvemass axis accuracyVSAvoidpeak width consistency
Core Design Contradiction:
Measurement precisionVSManufacturing precision

Solution Approach 1:

The patent extracts the problematic factor (space charge influence on peak width) from the mass spectrum analysis by sorting spectrums based on their integral values before integration. This extraction approach separates the mass axis correction function from the peak width consistency issue, allowing mass accuracy to be improved through correction while preventing peak width variation through selective integration of spectrums with similar characteristics

Inventive Principle:
Principle #2Taking out (Extraction)

3Manufacturing precision

If analysis conditions are adjusted to reduce space charge influence, then peak width consistency improves, but analysis complexity and time increase

Engineering Contradiction:
Improvepeak width consistencyVSAvoidanalysis time
Core Design Contradiction:
Manufacturing precisionVSLoss of time

Solution Approach 1:

The patent applies self-service by automatically calculating the integral value for each mass spectrum, sorting the spectrums in descending order of this value, and selecting spectrums for integration based on predetermined criteria. This automated process eliminates the need for manual adjustment of analysis conditions to reduce space charge influence, achieving peak width consistency while minimizing analysis time and complexity

Inventive Principle:
Principle #25Self-service

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 the easy acquisition of a good mass spectrum by integrating spectrums with specific physical quantities, reducing the labor and time required for adjustments, and providing a consistent reference for future analyses by storing the integrated spectrum and selection range.

Implementation Method 1

Ion trap mass spectrometers that use ion traps capturing ions by electric fields

Methodology Applied
Scientific EffectElectric field: Electric Field

Implementation Method 2

ions are produced by irradiating a sample with laser light

Methodology Applied
Scientific EffectLaser irradiation: Laser

Implementation Method 3

Matrix Assisted Laser Desorption/Ionization Digital Ion Trap Mass Spectrometer (MALDI-DIT-MS)

Methodology Applied
Scientific EffectLaser desorption/ionization: Laser Ablation

Data Source

PatentUS11527393B2Spectrum calculation processing device, spectrum calculation processing method, ion trap mass spectrometry system, ion trap mass spectrometry method and non-transitory computer readable medium storing spectrum calculation processing program
Publication Date: 2022.12.13 SHIMADZU CORP
  • US11527393B2 patent drawing
  • US11527393B2 patent drawing
  • US11527393B2 patent drawing

AI summary

A spectrum acquirer acquires a plurality of mass spectrums. A specific physical quantity calculator calculates a specific physical quantity reflecting an amount of ions with respect to each of the plurality of obtained mass spectrums. A spectrum sorter sorts the plurality of mass spectrums in order of the specific physical quantity calculated with respect to each mass spectrum. A display controller allows a display to display the plurality of sorted mass spectrums. A spectrum selector selects a plurality of mass spectrums having specific physical quantities in a designated range from the plurality of displayed mass spectrums. A post-selection spectrum integrator integrates the plurality of selected mass spectrums. The display controller allows the display to display the post-selection integrated mass spectrum.