Imaging Mass Spectrometer Peak Narrowing for Compound Separation
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Solution Overview
Problem
Conventional imaging mass spectrometers face challenges in accurately separating peaks of compounds with close m/z values, leading to overlapping peaks and potential loss of information, especially when averaging or summing mass spectra, which can result in inaccurate compound distribution images and overlooking of locally present compounds.
Innovation Solution
A mass spectrometry data analysis method that narrows the peak width of individual peaks in profile spectra before averaging or summing, allowing for more accurate peak selection and image creation, utilizing techniques like wavelet transform or centroiding to maintain signal intensity and reduce peak skirts.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Loss of information
If mass spectra are averaged or summed to create an overall mass spectrum, then the spectrum contains information about all compounds present in the measurement region, but peaks of compounds with close m/z values overlap and information is lost
Solution Approach 1:
The patent segments the mass spectrum processing into two distinct stages: (1) individual profile spectrum processing where peak width narrowing is applied to each micro region's spectrum separately, and (2) subsequent averaging or summing of the narrowed profiles. This segmentation prevents peak overlap information loss by sharpening peaks before aggregation, allowing compounds with close m/z values to remain distinguishable in the overall mass spectrum.
Solution Approach 2:
The patent applies peak width narrowing as a preliminary action before the averaging or summing operation. By narrowing the peak width in each individual profile spectrum beforehand, the patent ensures that peaks from different compounds do not overlap during the subsequent aggregation process, thereby preserving information about compounds with close m/z values in the final overall mass spectrum.
2Measurement precision
If peak width is narrowed in individual profile spectra before averaging, then peak separation accuracy is improved, but the processing complexity increases
Solution Approach 1:
The patent implements an automated peak width narrowing process that operates self-service on each individual profile spectrum. The system automatically detects peaks and applies appropriate narrowing based on the characteristics of each peak, eliminating the need for manual intervention and reducing the perceived complexity for the user while maintaining high peak separation accuracy.
Solution Approach 2:
The patent dynamically adjusts the peak width narrowing parameter based on the specific characteristics of each peak in the profile spectra. By changing the narrowing degree as a parameter according to peak properties (such as initial width and intensity), the system achieves effective peak separation without applying excessive or uniform narrowing that would increase processing complexity unnecessarily.
Data Source
AI summary
An imaging mass spectrometer according to the present invention includes: a measurement unit to acquire data by performing mass spectrometry on each of a plurality of micro regions in a measurement region on a sample; a narrowing unit to perform a process of narrowing a peak width with respect to each peak detected in each of a plurality of profile spectra based on the data individually obtained in the plurality of micro regions to be averaged or summed; a spectrum calculation unit to obtain an overall mass spectrum by averaging or summing the plurality of mass spectra processed by the narrowing unit; a peak selection reception unit to display the overall mass spectrum and receive an instruction from a user to select a peak on the mass spectrum; and an image creation unit to create a mass spectrometry image corresponding to the peak received by the peak selection reception unit.