Isobaric Ion Quantification Using Weighted Mass Spectral Sums
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Solution Overview
Problem
Existing mass spectrometric systems face challenges in simultaneously and quickly quantifying multiple samples labeled with isobaric mass tags, particularly due to insufficient mass resolution in compact time-of-flight mass analyzers and lengthy measurement periods required by other analyzers.
Innovation Solution
A method and device for mass spectrometric quantification that utilizes weighted sums of signals from isobaric ion species, determined by linearly independent quantification functions, allowing for the calculation of quantification parameters without iterative methods, even with insufficient mass resolution, and enabling real-time processing of mass spectra.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Speed
If compact time-of-flight mass analyzers are used, then the device size is reduced and acquisition speed is improved, but mass resolution becomes insufficient for resolving isobaric reporter ion species
Solution Approach 1:
The invention changes the parameter of mass resolution by using a mathematical deconvolution approach (weighted sums with quantification functions) to resolve isobaric signals that are not physically separated by the mass analyzer. This allows compact time-of-flight analyzers to achieve effective high-resolution quantification through signal processing rather than physical separation.
2Measurement precision
If high mass resolution is achieved using traditional analyzers, then isobaric ion species can be resolved, but the measurement period becomes lengthy
Solution Approach 1:
The invention performs preliminary action by pre-calculating and storing quantification functions that represent the expected signal shapes of individual isobaric ion species. During measurement, these pre-computed functions are directly applied through weighted summation to deconvolve the composite signal, eliminating the need for time-consuming iterative resolution processes.
3Measurement precision
If iterative methods are used to resolve isobaric signals, then quantification accuracy can be improved, but processing time increases significantly
Solution Approach 1:
The invention substitutes the mechanical/iterative signal processing approach with a direct mathematical calculation method. Instead of using iterative algorithms that require multiple cycles of adjustment and convergence, the patent applies a closed-form solution using pre-computed quantification functions and weighted sums, achieving the same quantification accuracy instantaneously.
Data Source
AI summary
Disclosed is a method and device for the mass spectrometric quantification of two or more known target ion species, in which a mass spectrometric signal, composed of signal components of the two or more target ion species, which are not mass resolved in the mass spectrum, is weighted with quantification functions and summed, and a quantification parameter is determined for the two or more target ion species from the weighted sums.