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

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著者

    • Gan Feng GAN Feng
    • College of Chemistry & Chemical Engineering, Institute of Chemometrics and Chemical Sensing Technology, Hunan University
    • Liang Yi-zeng LIANG Yi-zeng
    • College of Chemistry & Chemical Engineering, Institute of Chemometrics and Chemical Sensing Technology, Hunan University

抄録

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.

収録刊行物

  • Analytical sciences : the international journal of the Japan Society for Analytical Chemistry

    Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 16(6), 603-607, 2000-06-10

    社団法人 日本分析化学会

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各種コード

  • NII論文ID(NAID)
    10004955085
  • NII書誌ID(NCID)
    AA10500785
  • 本文言語コード
    ENG
  • 資料種別
    ART
  • ISSN
    09106340
  • NDL 記事登録ID
    5380261
  • NDL 雑誌分類
    ZP4(科学技術--化学・化学工業--分析化学)
  • NDL 請求記号
    Z54-F482
  • データ提供元
    CJP書誌  NDL  J-STAGE 
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