Mass Spectrometer Data Acquisition Using Windowed Ion Fragmentation
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Solution Overview
Problem
Current mass spectrometry techniques face challenges in efficiently utilizing precursor ions and achieving uniform detection of product ions, particularly in complex samples, leading to limitations in quantitative and qualitative analysis during omics analysis.
Innovation Solution
A data-independent acquisition and analysis method that divides the full mass-to-charge ratio range into multiple windows, fragments ions, and records both precursor and product ion spectra, allowing for the identification of precursor ions and subsequent quantitative analysis using an ion current chromatogram of product ions.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Adaptability or versatility
If data-dependent acquisition scheme is used to increase coverage of polypeptides, then qualitative analysis capability is improved, but ion utilization efficiency deteriorates and quantitative analysis capability is lost
Solution Approach 1:
The patent divides the full mass-to-charge ratio range into multiple windows, with each window independently monitored for product ions. This segmentation allows simultaneous monitoring of multiple precursor ion channels without requiring sequential scanning, thereby improving ion utilization efficiency while maintaining comprehensive coverage.
Solution Approach 2:
The patent implements continuous monitoring of product ions across all mass-to-charge ratio windows simultaneously, rather than sequentially scanning through different channels. This continuous parallel monitoring ensures that product ion information is captured for all precursor ions throughout the chromatographic elution time, improving both efficiency and quantitative capability.
2Difficulty of detecting and measuring
If sequential precursor ion scanning and product ion scanning is performed, then structural analysis capability is improved, but detection uniformity deteriorates
Solution Approach 1:
The mass-to-charge ratio range is segmented into multiple windows, allowing product ion monitoring to occur independently and simultaneously across all windows. This ensures that product ions from different precursor ions are detected uniformly throughout the chromatographic run, regardless of their elution times.
Solution Approach 2:
The patent employs repeated cycles of monitoring product ions across all windows, ensuring that each window receives adequate monitoring attention. This periodic comprehensive monitoring guarantees uniform detection across all mass-to-charge ratio channels while maintaining the ability to perform structural analysis through product ion spectra.
3Productivity
If full mass-to-charge ratio range is scanned continuously, then ion utilization efficiency is improved, but data complexity increases
Solution Approach 1:
The patent segments the full mass-to-charge ratio range into multiple manageable windows, making the data more organized and easier to process. Each window can be independently analyzed, reducing the complexity of handling the entire mass spectrum at once while maintaining continuous monitoring of all ions.
Solution Approach 2:
The patent introduces a temporal dimension by monitoring product ions continuously over time across all windows simultaneously. This transforms the data structure from a single complex spectrum to a time-resolved series of window-specific product ion data, making the overall data more manageable and interpretable while improving ion utilization.
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 method enhances ion utilization efficiency and improves quantitative/qualitative analysis performance by ensuring uniform detection of product ions across chromatographic elution time, overcoming limitations of existing methods.
Implementation Method 1
providing at least one ion source for generating ions, the generated ions containing ions of a substance to be analyzed
Implementation Method 2
respectively feeding ions corresponding to different mass-to-charge ratio windows into a collision cell to fragment at least part of the corresponding ions
Data Source
AI summary
A data acquisition and analysis method for a mass spectrometer includes providing at least one ion source for generating ions, the generated ions containing ions of a substance to be analyzed; dividing the full mass-to-charge ratio range of the ions of the substance into several mass-to-charge ratio windows, feeding ions corresponding to different mass-to-charge ratio windows into a collision cell to fragment at least part of the corresponding ions, and recording mass spectra of the ions passing through the collision cell as corresponding product ion spectra; obtaining a mass-to-charge ratio window corresponding to the product ion spectra obtained by the searching; within the mass-to-charge ratio range of the obtained mass-to-charge ratio window, obtaining ion peaks from the product ion spectra obtained by the searching; and determining whether ions corresponding to the obtained ion peaks are precursor ions corresponding to the product ion spectra obtained by the searching.