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Method for quickly establishing and searching biomass spectrometry database

A biological mass spectrometry and database technology, applied in the field of rapid establishment and search of biological mass spectrometry databases, can solve the problems of occupying a large hard disk storage space and spending a lot of time, reducing the time required for searching, improving the analysis efficiency, and avoiding computational tasks and problems. stored effect

Inactive Publication Date: 2015-07-08
TONGJI UNIV
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Problems solved by technology

Moreover, if combined forms such as amino acid mutations are considered, protein variants will increase exponentially again, which is also a major bottleneck of existing processing methods
Due to the huge number of protein variants, traditional database-based protein search engine methods need to calculate and store the theoretical primary and secondary spectra of all protein variants before searching, which takes a lot of time and requires Takes up a lot of hard drive storage space

Method used

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Examples

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Embodiment

[0022] A method for quickly establishing and searching a protein mass spectrometry database, comprising the following steps:

[0023] (1) According to the sequence and modification information in the standard protein sequence database, generate theoretical primary mass spectrometry databases of all corresponding protein variants.

[0024] (2) Compare the experimental primary mass spectrum with the theoretical primary mass spectrum, and find out all candidate protein variants corresponding to the primary mass spectrum.

[0025] (3) First determine whether there are MS / MS data of all the above candidate proteins in the database, if not, then calculate the theoretical MS / MS data of the protein on-line in a targeted manner, and store it in the database, if so, directly for the next match.

[0026] (4) compare and match the experimental secondary mass spectrum data with the theoretical secondary mass spectrum of the candidate protein;

[0027] (5) Repeat the above steps (2)-(4) u...

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Abstract

The invention relates to a method for quickly establishing and searching a biomass spectrometry database. The search method is that a second-stage biomass spectrometry database is calculated online by a targeting manner and dynamically stored based on the original first-stage spectrometry and candidate biomacromolecule of the spectrometry. Compared with the prior art, the method has the advantages that the high-flux spectrometry analyzing efficiency is obviously increased, a large amount of unnecessary data calculation tasks can be avoided, and the time of searching and the hard disk storage space can be greatly reduced; the method is applicable to high-flux big data analyzing, and in particular applicable to efficient analysis of biomacromolecule (such as protein and sugar) spectrometry and tandom mass spectrometry and accurate identification of the structure.

Description

technical field [0001] The invention relates to a method for quickly establishing and searching a biological mass spectrum database, mainly relating to the field of system biology related to biological mass spectrum, including technical fields such as proteomics and glycomics. Background technique [0002] With the development and commercialization of soft ionization techniques (such as electrospray ionization) and high-resolution mass analyzers (such as orbitrap), mass spectrometry is increasingly used in the analysis of biological macromolecules (such as proteins and polysaccharides). [0003] Chinese patent CN 103389335 A discloses an analysis device and method for identifying the primary structure and composition of biological macromolecules by analyzing the mass spectrum data of biological macromolecules. The analysis device and method are based on the original primary and secondary mass spectra of the biomacromolecules, and identify the biomacromolecules by comparing i...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G06F19/22G06F19/28
Inventor 肖开捷田志新
Owner TONGJI UNIV
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