Title:
DATA PROCESSING DEVICE, AND DATA PROCESSING METHOD
Document Type and Number:
WIPO Patent Application WO/2014/128912
Kind Code:
A1
Abstract:
A data processing device (1) is provided with: a database storage area (32c) having, pre-stored therein, MSn mass spectra of many known compounds; an acquisition unit (31a) for acquiring an MSn mass spectrum of an unknown compound; and a score calculation unit (31d) which respectively obtains scores indicating the similarity between the MSn mass spectrum of the unknown compound and the MSn mass spectra of the many known compounds. The data processing device (1) is characterized by being provided with: a strength-score calculation unit (31b) which categorizes strength scores into multiple strength-score tiers depending on the degree of ionic strength; and a positional-score calculation unit (31c) which obtains positional scores indicating mass-to-charge ratio error at each peak. The data processing device (1) is further characterized in that the score calculation unit (31d) integrates, for each peak, the strength score of peaks in the MSn mass spectra of the known compounds, the strength score of peaks in the MSn mass spectrum of the unknown compound, and the positional scores, and calculates, as the score, the total sum of the integrated values of all the peaks.
Inventors:
YAMADA YOHEI (JP)
Application Number:
PCT/JP2013/054465
Publication Date:
August 28, 2014
Filing Date:
February 22, 2013
Export Citation:
Assignee:
SHIMADZU CORP (JP)
International Classes:
G01N27/62
Domestic Patent References:
| WO2004090526A1 | 2004-10-21 |
Foreign References:
| JP2011220773A | 2011-11-04 | |||
| JP2007121134A | 2007-05-17 | |||
| JP2005201835A | 2005-07-28 | |||
| JP2005201835A | 2005-07-28 |
Other References:
STEPHEN E. STEIN; DONALD R. SCOTT: "Optimization and Testing of Mass Spectral Library Search Algorithms for Compound Identification", AMERICAN SOCIETY FOR MASS SPECTROMETRY, 1994, pages 859 - 866
Attorney, Agent or Firm:
KASHIMA, YOSHIO (JP)
KAJIMA Yoshio (JP)
KAJIMA Yoshio (JP)
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