A tool for comparing metabolic profiling data obtained by GC-MS

DOI

Bibliographic Information

Other Title
  • GC-MSによる代謝産物分析データを複数試料間で比較するためのピークアラインメントツールの開発

Abstract

Gas chromatography-mass spectrometry (GC-MS) is one of the major analytical instruments in plant metabolomics. The separated compounds through GC are collapsed during the electron impact ionization, and detected as fragments. The compounds are identified by comparing the fragmentation patterns to those of authentic compounds. However, only 10 - 20% of compounds are usually identified in plant materials. In order to compare the metabolite profiles between different samples, we developed a computational tool written in Java that aligns peaks including unknown compounds. Peak detection for each m/z, deconvolution, normalization of retention time, and peak alignment are accomplished. We succeeded to align peaks detected in the GC-time of flight-MS data of multiplicated analysis of a single extraction of Arabidopsis cells. We also successfully compared the metabolite profiles between Arabidopsis and Lotus japonicus.

Journal

Details 詳細情報について

  • CRID
    1390282680605173120
  • NII Article ID
    130006988800
  • DOI
    10.14841/jspp.2006.0.003.0
  • Data Source
    • JaLC
    • CiNii Articles
  • Abstract License Flag
    Disallowed

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