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

Research output: Contribution to journalArticlepeer-review

6 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)167-174
Number of pages8
JournalPlant Biotechnology
Volume26
Issue number1
DOIs
Publication statusPublished - 2009
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Biotechnology
  • Agronomy and Crop Science
  • Plant Science

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