The CCPN metabolomics project: A fast protocol for metabolite identification by 2D-NMR

Francesca Chignola, Silvia Mari, Tim J. Stevens, Rasmus H. Fogh, Valeria Mannella, Wayne Boucher, Giovanna Musco

Research output: Contribution to journalArticle

Abstract

Summary: We present here the freely available Metabolomics Project resource specifically designed to work under the CcpNmr Analysis program produced by CCPN (Collaborative Computing Project for NMR) (Vranken et al., 2005, The CCPN data model for NMR spectroscopy: development of a software pipeline. Proteins, 59, 687-696). The project consists of a database of assigned 1D and 2D spectra of many common metabolites. The project aims to help the user to analyze and assign 1D and 2D NMR spectra of unknown metabolite mixtures. Spectra of unknown mixtures can be easily superimposed and compared with the database spectra, thus facilitating their assignment and identification.

Original languageEnglish
Article numberbtr013
Pages (from-to)885-886
Number of pages2
JournalBioinformatics
Volume27
Issue number6
DOIs
Publication statusPublished - Mar 2011

ASJC Scopus subject areas

  • Biochemistry
  • Molecular Biology
  • Computational Theory and Mathematics
  • Computer Science Applications
  • Computational Mathematics
  • Statistics and Probability
  • Medicine(all)

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    Chignola, F., Mari, S., Stevens, T. J., Fogh, R. H., Mannella, V., Boucher, W., & Musco, G. (2011). The CCPN metabolomics project: A fast protocol for metabolite identification by 2D-NMR. Bioinformatics, 27(6), 885-886. [btr013]. https://doi.org/10.1093/bioinformatics/btr013