Method for creating mass spectrum database, method for evaluating mass spectrum quality, method for distinguishing microorganism, and analysis device for creating mass spectrum database

WO2025243496A1PCT designated stage Publication Date: 2025-11-27SHIMADZU CORP
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Patent Information

Application Number
PCT/JP2024/019160
Authority / Receiving Office
WO · WO
Patent Type
Applications
Current Assignee / Owner
Filing Date
2024-05-24
Publication Date
2025-11-27

AI Technical Summary

Technical Problem

Existing mass spectral databases for identifying microorganisms using MALDI-MS analysis are compromised by low-quality mass spectra containing peaks that do not reflect the classification characteristics of microorganisms, leading to decreased accuracy in identification.

Method used

A method for creating a mass spectral database that involves performing mass spectrometry on microbial samples, determining the quality of obtained mass spectra by calculating integrated peak intensities in specific m/z ranges, and excluding low-quality spectra to create a high-quality database using a processor-based analysis device.

Benefits of technology

Improves the quality of mass spectral databases, enabling accurate identification and discrimination of microorganisms by reducing the influence of contaminant peaks and ensuring that only high-quality spectra are included in the database.

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Abstract

This method comprises: a step for acquiring one or more mass spectra obtained by performing mass analysis of an analysis specimen prepared from a microorganism specimen including a microorganism, and creating collected data including the acquired mass spectra; a step for evaluating whether the mass spectra included in the collected data satisfy a quality standard determined in advance; and a step for creating a mass spectrum database using the mass spectra which satisfy the quality standard. The step for evaluating whether the quality standard is satisfied includes, for each mass spectrum: a step for calculating a first integrated value of the peak intensity of a peak included in a first m / z range corresponding to a contaminant in the analysis sample; a step for calculating a second integrated value of the peak intensity of a peak included in a second m / z region differing from the first m / z region; and a step for evaluating whether the ratio of the first integrated value to the second integrated value satisfies a specified condition.
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Citation Information

Patent Citations

  • Method for identifying microorganisms by adopting mass spectrum

    CN103616434A

  • Comparative sequence analysis processes and systems

    US20090006002A1

  • Mass spectrometric data analysis apparatus and analysis method

    WO2018020652A1