Mass Spectrometry Imaging with Region-Path MS/MS Identification
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Solution Overview
Problem
Mass Spectrometry Imaging (MSI) generates rich datasets with hundreds or thousands of peaks in each pixel, making molecular identification challenging for analysts.
Innovation Solution
A method involving a first mode of operation for spatially resolved data set generation, followed by tandem mass spectrometry (MS/MS) analysis along a path within identified regions to produce detailed data sets, enhancing molecular identification.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Quantity of substance
If mass spectrometry imaging is performed to generate spatially resolved datasets, then comprehensive molecular information is obtained, but molecular identification becomes challenging due to data complexity
Solution Approach 1:
The patent segments the sample into distinct chemically homogeneous regions using unsupervised clustering algorithms on the MSI data. This segmentation divides the complex dataset into manageable regional units, allowing focused analysis of molecular compositions within each region rather than treating the entire dataset as a single complex entity.
Solution Approach 2:
The patent performs preliminary region identification and characterization using unsupervised clustering before conducting targeted MS/MS analysis. This preliminary action prepares the data structure and identifies regions of interest, enabling subsequent focused molecular identification efforts rather than attempting to analyze all data simultaneously.
2Measurement precision
If tandem mass spectrometry analysis is performed on entire sample regions, then detailed molecular identification is achieved, but analysis time increases significantly
Solution Approach 1:
The patent applies local quality by performing MS/MS analysis selectively on specific paths through chemically homogeneous regions rather than uniformly across entire sample areas. The analysis focus is localized to paths that traverse regions with similar molecular compositions, optimizing resource allocation and reducing redundant analysis time while maintaining identification precision.
Solution Approach 2:
The patent performs partial MS/MS analysis by selecting representative paths through regions rather than analyzing every pixel or location within regions. This partial action approach captures sufficient molecular identification information from each region without the excessive time cost of comprehensive coverage, achieving adequate molecular characterization efficiently.
3Reliability
If comprehensive tandem mass spectrometry data is collected for all regions, then molecular identification confidence increases, but data processing and interpretation burden increases
Solution Approach 1:
The patent extracts and isolates MS/MS data specifically from identified chemically homogeneous regions, separating relevant identification data from the broader MSI dataset. This extraction focuses processing resources on region-specific molecular compositions, building confident identifications for each region while avoiding the computational burden of processing all MSI data with the same level of detail.
Data Source
AI summary
A method of analysing a sample comprises analysing a sample in a first mode of operation so as to produce a spatially resolved data set representative of the sample, and analysing the data set so as to identify one or more regions of the sample. For each of one or more identified regions of the sample, a tandem mass spectrometry (MS/MS) data set is produced for that region by determining a path through the region, and analysing the sample along the path using Desorption Electrospray Ionisation (“DESI”) in a tandem mass spectrometry (MS/MS) mode of operation.