A Novel Approach to the Retrieval of the Mass Spectrum of a Mixture.

• GAN Feng

  College of Chemistry & Chemical Engineering, Institute of Chemometrics and Chemical Sensing Technology, Hunan University

• LIANG Yi-zeng

  College of Chemistry & Chemical Engineering, Institute of Chemometrics and Chemical Sensing Technology, Hunan University

Bibliographic Information

Other Title

• Novel Approach to the Retrieval of the Mass Spectrum of a Mixture

Abstract

A novel approach for a library search of the mass spectrum of a mixture is proposed, which is a hybrid of retrieval and calibration techniques developed in chemometrics. An index, called weighted reference existence index, has been developed to obtain a set of possible reference spectra corresponding to the spectrum of a mixture. A non-negative least-squares regression is then used to calculate the contributions of the components in the mixture. The real components and their relative quantities can be determined from the regression coefficients of a non-negative least-squares regression. Both simulated and real data are used to evaluate the proposed method, and the results are quite satisfactory.

Journal

• Analytical Sciences

  Analytical Sciences 16 (6), 603-607, 2000

  The Japan Society for Analytical Chemistry

Keywords

• Analytical Chemistry

Details

• CRID: 1390001204256953088
• NII Article ID: 10004955085
• NII Book ID: AA10500785
• DOI: 10.2116/analsci.16.603
• COI: 1:CAS:528:DC%2BD3cXksVOit74%3D
• ISSN: 13482246
• ISSN: 09106340
• NDL BIB ID: 5380261
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I5380261
• Web Site: https://link.springer.com/content/pdf/10.2116/analsci.16.603.pdf
• Web Site: https://link.springer.com/article/10.2116/analsci.16.603/fulltext.html
• Web Site: http://www.jstage.jst.go.jp/article/analsci/16/6/16_6_603/_pdf
• Text Lang: en
• Data Source:
  • JaLC
  • NDL
  • Crossref
  • CiNii Articles
• Abstract License Flag: Disallowed