Novel FT-ICR/MS Metabolomics Approach with the van Krevelen Diagram

DOI
  • Kai Kosuke
    Research Association for Biotechnology Graduate School of Life and Environmental Sciences, Osaka Prefecture University
  • Kitano Shinya
    Graduate School of Life and Environmental Sciences, Osaka Prefecture University
  • Yasuda Shuhei
    Graduate School of Life and Environmental Sciences, Osaka Prefecture University
  • Takahashi Hiroki
    Graduate School of Information Science, Nara Institute of Science and Technology
  • Shojo Masayuki
    Graduate School of Information Science, Nara Institute of Science and Technology
  • Sakurai Nozomu
    Kazusa DNA Research Institute
  • Suzuki Hideyuki
    Kazusa DNA Research Institute
  • Shibata Daisuke
    Kazusa DNA Research Institute
  • Kanaya Shigehiko
    Graduate School of Information Science, Nara Institute of Science and Technology
  • Ohta Daisaku
    Graduate School of Life and Environmental Sciences, Osaka Prefecture University

Bibliographic Information

Other Title
  • van Krevelen diagram を用いた新規メタボローム解析ツールの開発

Abstract

Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR/MS) is characterized by its extremely high resolution, allowing prediction of elemental compositions of each analyte with the aid of accurate mass measurement. We have exploited this distinguished mass resolution performance for non-targeted metabolomics studies. As a next challenge to convert information of elemental compositions into chemical structures of metabolites, we introduced the van Krevelen diagram, which is constructed by plotting atomic ratios of H/C versus O/C for each elemental composition, into our FT-ICR/MS-based metabolomics scheme. On the diagram, possible metabolic activities can also be superimposed as to connected data points. Massive amounts of raw data from mass spectrometry operations should be interpreted in a biological context by analysis of changes of elemental compositions due to metabolic activities. In this report, we discuss the possibility of this analytical approach as a general metabolomics tool.

Journal

Details 詳細情報について

  • CRID
    1390282680608702592
  • NII Article ID
    130006993455
  • DOI
    10.14841/jspp.2009.0.1021.0
  • Data Source
    • JaLC
    • CiNii Articles
  • Abstract License Flag
    Disallowed

Report a problem

Back to top