Mass Spectra Selection by Peak Intensity Thresholds
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Solution Overview
Problem
Analysts face inefficiencies in checking a large number of mass spectra acquired during scan measurements, particularly when identifying unidentified components under multiple conditions, as they need to manually verify the effectiveness of each spectrum for component identification.
Innovation Solution
A mass analysis data processing apparatus and method that allows analysts to input determination conditions based on maximum intensity values of mass peaks, automatically selecting and presenting only the spectra that satisfy these conditions, thereby filtering out noise and ineffective spectra.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If product ion scan measurement is performed under multiple measurement conditions to identify unidentified components, then the identification accuracy is improved, but the number of mass spectra to be checked increases, leading to increased analyst workload and time consumption
Solution Approach 1:
The patent extracts and applies multiple measurement conditions (different precursor ion mass-to-charge ratios) to the same unidentified component. By obtaining mass spectra under multiple conditions and comparing them with reference spectra, the system enhances identification accuracy without requiring analysts to manually check each spectrum individually, thus resolving the contradiction between improved identification and increased time consumption
Solution Approach 2:
The patent makes the mass spectrometer perform multiple measurement functions by sequentially applying different measurement conditions to the same sample component. The system universally processes the unidentified component under various conditions (different precursor ions, collision energies) and integrates the results, allowing one measurement system to achieve comprehensive identification that would otherwise require multiple separate analyses
2Measurement precision
If product ion scan measurement is performed under multiple measurement conditions to identify unidentified components, then the identification accuracy is improved, but the analyst workload increases due to the need to manually verify each spectrum
Solution Approach 1:
The system performs self-service by automatically comparing the mass spectra obtained under multiple measurement conditions with reference spectra stored in a database. The automated comparison and matching process eliminates the need for analysts to manually verify each spectrum, thereby maintaining high identification accuracy while significantly reducing analyst workload and operational complexity
Data Source
AI summary
To enhance the efficiency in the operation of checking a plurality of mass spectra acquired by measuring MSn (n is an integer equal to or more than two) of a sample containing an unidentified component under a plurality of measurement conditions. A mass analysis data processing apparatus for processing data constituting a plurality of mass spectra acquired by performing MSn (n is an integer equal to or more than two) measurement of an unidentified component contained in a sample under a plurality of different measurement conditions, the apparatus including: a determination condition input unit 43 for allowing an analyst to input a determination condition concerning a maximum intensity value of mass peaks on the mass spectra, in order to select, out of the plurality of mass spectra, a mass spectrum or mass spectra effective for presuming the unidentified component; a determination execution unit 44 for determining whether or not the determination condition is satisfied in each of the plurality of mass spectra; and a selection result presentation unit 45 for selecting a mass spectrum or mass spectra, determined to satisfy the determination condition by the determination execution unit 44, and presenting the mass spectrum or spectra to the analyst.