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Method for detecting outlier among theoretical masses

A technology of outlier detection and theoretical quality, applied in the field of theoretical quality outlier detection, can solve unrealistic problems

Pending Publication Date: 2021-11-26
SHIMADZU SEISAKUSHO CO LTD
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

However, it is not practical to obtain a large number of microorganisms of different species or strains and actually perform mass spectrometry analysis for each microorganism to determine the mass of the marker peak

Method used

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  • Method for detecting outlier among theoretical masses
  • Method for detecting outlier among theoretical masses
  • Method for detecting outlier among theoretical masses

Examples

Experimental program
Comparison scheme
Effect test

Embodiment

[0036] P. acnes 89 acquires from public databases (Cutibacterium acnes) amino acid sequence of ribosomal protein L15, and their respective calculated theoretical mass, and therefrom detecting outliers.

[0037] The theoretical mass distribution in the range of 15347.58 ~ 20635.62, mode value is 15384.69. The 89 amino acid sequence corresponding to the amino acid sequence of the mode value as the reference sequence, the edit distance is calculated between the amino acid sequences of each strain of the reference sequence to the amino acid sequence of 89. A threshold value for determining the set outlier 2, with the theoretical mass of the edit distance exceeds the threshold value related strains is determined as outliers.

[0038] exist image 3 It shows a detection result of the outliers. Further, for simplicity, here only shows the results of the 20 and 89 in relevant. In the figure, the fourth from the left column shows an amino acid sequence of each strain pattern of ribosomal pr...

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Abstract

A representative value is determined among from a theoretical mass group that is a collection of theoretical masses relating to a single protein in a plurality of microorganisms (step S1), a reference sequence that is an amino acid sequence or a nucleotide sequence corresponding to the representative value is identified (step S2), an edit distance between an amino acid sequence or a nucleotide sequence corresponding to each of theoretical masses contained in the theoretical mass group and the reference sequence is calculated (step S3), and a theoretical mass corresponding to an amino acid sequence or a nucleotide sequence of which the edit distance is equal to or more than a predetermined threshold value, among the theoretical masses contained in the theoretical mass group, is determined as an outlier (step S4). In this manner, it becomes possible to properly detect an outlier among from a data collection composed of theoretical mass data relating to a single protein in a plurality of microorganisms.

Description

Technical field [0001] The present invention relates to an ionized value detection method of theoretical quality. Background technique [0002] In recent years, a microbial identification method using mass spectrometry is developed (for example, refer to Patent Document 1). In this method, first, a protein-extracted solution or a microbial extracted from the detected microbial extracted in a mass spectrometry using a soft ionization method such as a MALDI-MS (matrix auxiliary laser desorbed ionized mass spectrometry). Sus turbidity, etc. Further, the "soft" ionization method refers to an ionization method that is not easily decomposed by high molecular weight compounds. Then, the microbiological species or microbial strain of the subject was determined by controlling the resulting mass spectrometry with the mass spectrometry of the known microorganism. [0003] In the microbial identification method of mass spectrometry as described above, the microorganism is performed in a mass...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G01N27/62H01J49/26
CPCH01J49/26G16B40/10G16B40/00
Inventor 大久保达树
Owner SHIMADZU SEISAKUSHO CO LTD