Mass Spectrometer Data Acquisition via Non-Overlapping Windows

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Solution Overview

Problem

Existing data-independent acquisition methods in mass spectrometry face inefficiencies due to low ion utilization and increased complexity in spectrum processing, leading to mismatches and misjudgments of analyte ions when mass windows are either too small or too large.

Innovation Solution

A method involving a mass spectrometer where precursor ions are selectively passed through a first mass analyzer to exclude certain mass windows, allowing only ions outside these windows to enter a collision cell for dissociation, generating product ions which are then analyzed in a second mass analyzer, with non-overlapping mass windows scanned across the range to improve ion utilization and reduce data processing complexity.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Loss of energy

If the mass window is made small to reduce spectrum complexity, then the ion utilization efficiency decreases and scanning time increases, but if the mass window is made large to improve ion utilization efficiency, then the spectrum complexity increases and data post-processing difficulty increases

Engineering Contradiction:
Improveion utilization efficiencyVSAvoidspectrum complexity
Core Design Contradiction:
Loss of energyVSDevice complexity

Solution Approach 1:

The mass window is divided into multiple sub-windows, and the collision cell is segmented to handle different mass ranges in separate physical zones. This allows the system to process a large overall mass window while keeping each sub-window small enough to maintain simple spectra and efficient ion utilization.

Inventive Principle:
Principle #1Segmentation

Solution Approach 2:

The patent introduces a spatial dimension by dividing the collision cell into multiple zones along the ion trajectory. Different mass windows are assigned to different spatial zones, transforming a one-dimensional mass filtering problem into a two-dimensional solution combining mass selection and spatial separation.

Inventive Principle:
Principle #17Another dimension (Dimensionality change)

2Difficulty of detecting and measuring

If the mass window is made small to reduce spectrum complexity, then data post-processing becomes easier, but the scanning time increases and productivity decreases

Engineering Contradiction:
Improvedata post-processing difficultyVSAvoidscanning throughput
Core Design Contradiction:
Difficulty of detecting and measuringVSProductivity

Solution Approach 1:

The mass analysis process is segmented into multiple parallel channels, each handling a specific sub-window. This segmentation allows simultaneous processing of multiple mass ranges, reducing total scanning time while maintaining simple spectra in each channel for easier post-processing.

Inventive Principle:
Principle #1Segmentation

Solution Approach 2:

The segmented collision cell enables continuous ion transmission and simultaneous collision dissociation across multiple mass windows. The system maintains continuous useful action by processing different mass ranges in parallel rather than sequentially, improving productivity without increasing individual spectrum complexity.

Inventive Principle:
Principle #20Continuity of useful action

3Productivity

If the mass window is made large to improve ion utilization efficiency, then scanning speed increases, but mismatches and misjudgments of analyte ions occur due to increased spectrum complexity

Engineering Contradiction:
Improvescanning speedVSAvoidanalyte ion identification accuracy
Core Design Contradiction:
ProductivityVSReliability

Solution Approach 1:

The large mass window is segmented into smaller sub-windows assigned to different collision cell zones. This segmentation maintains high scanning speed by covering the full mass range efficiently while reducing spectrum complexity in each zone, thereby improving analyte ion identification accuracy by minimizing mismatches and misjudgments.

Inventive Principle:
Principle #1Segmentation

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 significantly enhances ion utilization efficiency, reduces data processing difficulties, and improves quantification capabilities by maintaining high ion intensity and simplifying deconvolution, while minimizing mismatches and misjudgments of analyte ions.

Implementation Method 1

a first mass analyzer, wherein the first mass analyzer selects at least one mass window such that the precursor ions located outside the mass window pass through the first mass analyzer and the precursor ions located within the mass window cannot pass through the first mass analyzer

Methodology Applied
Scientific EffectMass analysis:

Implementation Method 2

feeding the precursor ions passing through the first mass analyzer into a collision cell for collisional dissociation, to generate product ions

Methodology Applied
Scientific EffectCollisional dissociation:

Implementation Method 3

feeding the product ions into a second mass analyzer for mass analysis and recording a spectrum

Methodology Applied
Scientific EffectMass analysis:

Data Source

PatentUS11031218B2Data acquisition method in a mass spectrometer
Publication Date: 2021.06.08 SHIMADZU CORP
  • US11031218B2 patent drawing
  • US11031218B2 patent drawing
  • US11031218B2 patent drawing

AI summary

A data acquisition method in a mass spectrometer includes a. providing an ion source to generate precursor ions; b. feeding the precursor ions into a first mass analyzer that selects one mass window such that the precursor ions located outside the mass window pass through the first mass analyzer and the precursor ions located within the mass window cannot pass through the first mass analyzer; c. feeding the precursor ions passing through the first mass analyzer into a collision cell for collisional dissociation, to generate product ions; d. feeding the product ions into a second mass analyzer for mass analysis and recording a spectrum; and e. repeating Steps b-d. Each time when Step b is repeatedly performed, the selected mass window does not overlap with all the mass windows previously selected. After all the mass windows in a mass range are selected, the repetition is stopped.