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Spectrum library generating method and spectrogram identifying method of tandem mass spectrometry

A technology of tandem mass spectrometry and identification method, which is applied in biological testing, material inspection products, measuring devices, etc., can solve the problem of unable to find candidate spectra, affecting the accuracy of identification, etc., to avoid the problem of statistical significance failure and improve the accuracy of identification , the effect of controlling the false positive rate

Active Publication Date: 2010-10-27
INST OF COMPUTING TECH CHINESE ACAD OF SCI
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Problems solved by technology

[0006]The purpose of the present invention is to overcome the existing spectrum library-based identification method due to the unknown or unexpected modifications in the protein can not find the correct candidate spectrum , defects affecting identification accuracy, thereby providing a highly accurate spectral identification method

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  • Spectrum library generating method and spectrogram identifying method of tandem mass spectrometry
  • Spectrum library generating method and spectrogram identifying method of tandem mass spectrometry
  • Spectrum library generating method and spectrogram identifying method of tandem mass spectrometry

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Embodiment Construction

[0054] The present invention will be further described below in conjunction with the accompanying drawings and specific embodiments.

[0055] It has been mentioned in the description of the background technology that the premise of spectral library search is the existence of a spectral database, and whether the spectral data in the spectral database is complete or not has a very important impact on the accuracy of the final result of protein identification. Therefore, refer to figure 1 , in the present invention, the process of establishing the spectrogram database is firstly described.

[0056] The establishment of a spectral database requires a batch of resolved experimental tandem mass spectra, and the relevant information of these resolved experimental tandem mass spectra is known, such as precursor ion peptide sequence, charge, modification type and site, etc. It is easy for those skilled in the art to understand that the greater the amount of analyzed experimental tande...

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Abstract

The invention provides a spectrum library generating method, comprising the following steps: selecting analyzed spectrograms of an experimental tandem mass spectrometry, in which information of female ionic peptide sequences, electronic charges, modified types and sites are included; removing redundant spectrograms from the analyzed spectrograms of the experimental tandem mass spectrometry to obtain representing spectrograms; dividing the female ionic peptide sequences corresponding to the representing spectrograms according to a theoretical fragmentation mode to obtain theoretical spectrograms corresponding to the representing spectrograms; combining the theoretical spectrograms and the representing spectrograms to obtain optimized spectrograms; and labeling spectral peaks for the optimized spectrograms, and utilizing the optimized spectrograms with labeled spectral peaks to generate a spectrogram database. The invention further provides a spectrogram identifying method of the tandemmass spectrometry. In the invention, in the process of matching candidate spectrograms and the spectrograms of the tandem mass spectrometry to be analyzed, mass-to-charge ratio offset of the spectralpeak possibly introduced by a potential modification is concerned so that ionic spectral peak containing modified fragments is matched, thereby achieving better modified spectrogram identifying effect.

Description

technical field [0001] The invention relates to a method for proteome identification, in particular to a method for generating a spectral library and a method for identifying tandem mass spectrograms. Background technique [0002] It is well known that the genetic information of most organisms is stored in DNA. DNA generates messenger RNA through the process of transcription, and messenger RNA generates protein through the process of translation, thus realizing the transmission of genetic information from DNA to RNA and then to protein. This process is also known as the central dogma of life. In the process of protein translation from RNA, the chain molecules formed by connecting 20 kinds of amino acids in sequence with peptide bonds are called peptides, and the peptides whose molecular weight reaches a certain level are called proteins. After most proteins are translated, some functional groups (such as adding acetyl to the N-terminal of the protein) will be added to some ...

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G01N33/68G01N27/62
Inventor 叶叮付岩孙瑞祥贺思敏
Owner INST OF COMPUTING TECH CHINESE ACAD OF SCI
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