Title:
SIMULATION GENERATION METHOD AND SYSTEM FOR METABOLISM MIXTURE MS/MS MASS SPECTRA
Document Type and Number:
WIPO Patent Application WO/2017/128497
Kind Code:
A1
Abstract:
A simulation generation method and system for metabolism mixture MS/MS mass spectra, not dependent on a real experiment. A large number of required metabolism mixture MS/MS simulation mass spectra can be generated by modifying parameter settings, and the amount of samples is not limited by an acquisition condition. In addition, when the conditions and an environment change, there is also no need to make a new design and conduct an experiment, helpful for improving the research and development efficiency of metabolomics. According to the method, a non-linear regression model is used for generating the MS/MS simulation mass spectra, and the problem relating to accuracy caused by simple linear superposition in a traditional algorithm is avoided. In addition, a noise probability model is built by making statistics of real metabolism mass spectrum data, and a complex interference situation needing to be taken account of in realistic applications is covered. The generated mass spectrum data is more practical, can effectively guide the early research and development of metabolomics, and can be partially used for verifying the algorithm performance.
Inventors:
ZHOU JIARUI (CN)
JI ZHEN (CN)
YIN FU (CN)
ZHU ZEXUAN (CN)
JI ZHEN (CN)
YIN FU (CN)
ZHU ZEXUAN (CN)
Application Number:
PCT/CN2016/076226
Publication Date:
August 03, 2017
Filing Date:
March 14, 2016
Export Citation:
Assignee:
HARBIN INST TECHNOLOGY SHENZHEN GRADUATE SCHOOL (CN)
ZHOU JIARUI (CN)
JI ZHEN (CN)
YIN FU (CN)
ZHU ZEXUAN (CN)
ZHOU JIARUI (CN)
JI ZHEN (CN)
YIN FU (CN)
ZHU ZEXUAN (CN)
International Classes:
G16B5/20
Foreign References:
| CN104834832A | 2015-08-12 | |||
| CN102339356A | 2012-02-01 | |||
| CN104615903A | 2015-05-13 |
Attorney, Agent or Firm:
JOHNSON INTELLECTUAL PROPERTY AGENCY (SHENZHEN) (CN)
Download PDF: