Quantitative Analysis of Sugar Chains Using Multivalent Ion Segmentation
Find Innovative SolutionsGenerate Solutions
Solution Overview
Problem
Current methods for quantitative analysis of high-molecular compounds like sugar chains and glycopeptides are inefficient due to the generation of multivalent ions and structural non-uniformity, making simultaneous multicomponent analysis difficult with LC-MS, resulting in low throughput and labor-intensive individual analyses.
Innovation Solution
A method using a mass spectrometer capable of MS/MS analysis, specifically calculating the total value of peak areas from multiple MRM measurements for precursor ions with varying ionic valency and a common product ion, allowing for simultaneous multicomponent analysis of high-molecular compounds, such as sugar chains and glycopeptides, to determine their quantities accurately and efficiently.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Use of energy by moving object
If LC-MS with ESI ionization is used for high-molecular compounds, then ionization efficiency is improved, but multiple multivalent ions are generated making quantitative analysis difficult
Solution Approach 1:
The patent segments the complex ion population by separating precursor ions with different ionic valencies into distinct groups. By calculating total peak areas for each valency group separately and then combining them, the method divides the complex quantitative analysis problem into manageable segments that can be handled individually and then integrated.
Solution Approach 2:
The patent changes the analysis parameter from considering individual precursor ions to grouping them by ionic valency. This parameter change allows the system to handle the complexity of multivalent ions by treating all ions of the same valency as a unified group, simplifying the quantitative analysis while maintaining accuracy.
2Measurement precision
If individual compound analysis is performed using UV absorption or fluorescent detector, then quantitative accuracy is maintained, but analysis throughput is reduced
Solution Approach 1:
The patent merges multiple MRM measurement results for precursor ions with different ionic valencies into a single quantitative determination. By combining the total peak areas from multiple valency groups, the method achieves comprehensive quantitative analysis in a single measurement, thereby improving throughput while maintaining accuracy through the robust MRM technique.
Solution Approach 2:
The patent creates a universal quantitative analysis method that works for high-molecular compounds regardless of their ionic valency. The approach can simultaneously analyze compounds with different numbers of charged groups, making the method universally applicable to various high-molecular compounds like sugar chains and glycopeptides in a single measurement.
3Adaptability or versatility
If sugar chains with non-uniform structure are analyzed by LC-MS, then structural information is obtained, but ionic valency varies considerably making simultaneous multicomponent analysis difficult
Solution Approach 1:
The patent changes the approach from analyzing individual precursor ions to grouping them by ionic valency. This parameter change accommodates the non-uniform structure of sugar chains by allowing different structural variants to be grouped under their respective valency categories, enabling simultaneous multicomponent analysis despite structural diversity.
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 efficient and accurate simultaneous multicomponent analysis of high-molecular compounds, reducing analysis time and labor by using MRM measurements in a mass spectrometer, improving the throughput of quantitative analysis.
Implementation Method 1
In LC-MS, ion sources which employ electrospray ionization (ESI) or similar methods are commonly used. If a high-molecular compound, such as a sugar chain or glycopeptide, is ionized by such an ion source, a plurality of kinds of multivalent ions whose valency is not one are easily generated.
Implementation Method 2
In an MRM measurement, influences of foreign components can be removed by two-stage mass separators (quadrupole mass filters).
Implementation Method 3
a peak information acquisition step, in which a total value of the areas of peaks appearing on a plurality of mass chromatograms respectively acquired by a plurality of MRM measurements is calculated
Data Source
AI summary
A method and apparatus for entering the structures of assumed sugar chains, assumed ionic numbers, m/z of a common product ion, etc. for calculating, by a precursor m/z calculator the m/z of precursor ions originating from each sugar chain. A method file creator prepares a method file including MRM transitions. A multivalent ion information file creator creates a file which associates a unique ID of each sugar-chain structure with m/z of precursor ions and m/z of a product ion. Then, a chromatogram creator creates a mass chromatogram for each MRM transition. A peak area totalizer adds up peak areas on mass chromatograms obtained for a plurality of MRM transitions corresponding to the same sugar chain. Based on the calculated total values, a quantitative value calculator calculates an abundance ratio of each sugar chain as a quantitative value. A quantitative output information creator displays the quantitative values on a display unit.