An approach to peak detection in GC-MS chromatograms and application of KNApSAcK database in prediction of candidate metabolites

Takashi Oishi; Ken-ichi Tanaka; Takuya Hashimoto; Yoko Shinbo; Kanokwan Jumtee; Takeshi Bamba; Eiichiro Fukusaki; Hideyuki Suzuki; Daisuke Shibata; Hiroki Takahashi; Hiroko Asahi; Ken Kurokawa; Yukiko Nakamura; Aki Hirai; Kensuke Nakamura; Md. Altaf-Ul-Amin; Shigehiko Kanaya

doi:10.5511/plantbiotechnology.26.167

Original Paper

An approach to peak detection in GC-MS chromatograms and application of KNApSAcK database in prediction of candidate metabolites

Takashi Oishi, Ken-ichi Tanaka, Takuya Hashimoto, Yoko Shinbo, Kanokwan Jumtee, Takeshi Bamba, Eiichiro Fukusaki, Hideyuki Suzuki, Daisuke Shibata, Hiroki Takahashi, Hiroko Asahi, Ken Kurokawa, Yukiko Nakamura, Aki Hirai, Kensuke Nakamura, Md. Altaf-Ul-Amin, Shigehiko Kanaya

Author information

Takashi Oishi
Graduate School of Information Science, Nara Institute of Science and Technology
Ken-ichi Tanaka
Graduate School of Information Science, Nara Institute of Science and Technology
Takuya Hashimoto
Department of Biotechnology, Graduate School of Engineering, Osaka University
Yoko Shinbo
Graduate School of Information Science, Nara Institute of Science and Technology
Kanokwan Jumtee
Department of Biotechnology, Graduate School of Engineering, Osaka University
Takeshi Bamba
Department of Biotechnology, Graduate School of Engineering, Osaka University
Eiichiro Fukusaki
Department of Biotechnology, Graduate School of Engineering, Osaka University
Hideyuki Suzuki
Kazusa DNA Research Institute
Daisuke Shibata
Kazusa DNA Research Institute
Hiroki Takahashi
Graduate School of Information Science, Nara Institute of Science and Technology
Hiroko Asahi
Graduate School of Information Science, Nara Institute of Science and Technology
Ken Kurokawa
Department of Biological Information, Tokyo Institute of Technology
Yukiko Nakamura
Kazusa DNA Research Institute
Aki Hirai
Graduate School of Information Science, Nara Institute of Science and Technology
Kensuke Nakamura
Graduate School of Information Science, Nara Institute of Science and Technology
Md. Altaf-Ul-Amin
Graduate School of Information Science, Nara Institute of Science and Technology
Shigehiko Kanaya
Graduate School of Information Science, Nara Institute of Science and Technology

Keywords: Metabolomics, species-metabolite database, mass spectrometry, peak detection

JOURNAL FREE ACCESS

2009 Volume 26 Issue 1 Pages 167-174

DOI https://doi.org/10.5511/plantbiotechnology.26.167

Details

Abstract

Since 2004, we have been developing a metabolite database concerning species-metabolite relations called KNApSAcK, which currently contains 49,165 species-metabolite relations incorporating 24,847 metabolites. In the present study, we report current status of KNApSAcK database and it's application to metabolomics fields and propose a new algorithm for detecting fragmentation patterns in a complicated mixture such as a plant tissue and a new scheme for analyzing spectral information leading to peak annotation of GC-MS spectra. When considering samples corresponding to a variety of species in addition to model species, KNApSAcK DB has strong potential for contribution to metabolomics research by way of applying it not only to simple metabolite search but also to further metabolomics analysis.

Corresponding author

Register with J-STAGE for free!