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Front Bioeng Biotechnol. 2015 Mar 4;3:22. doi: 10.3389/fbioe.2015.00022. eCollection 2015.

Open-access metabolomics databases for natural product research: present capabilities and future potential.

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1
Institute of Biological Chemistry, M.J. Murdock Metabolomics Laboratory, Washington State University , Pullman, WA , USA.

Abstract

Various databases have been developed to aid in assigning structures to spectral peaks observed in metabolomics experiments. In this review article, we discuss the utility of currently available open-access spectral and chemical databases for natural products discovery. We also provide recommendations on how the research community can contribute to further improvements.

KEYWORDS:

gas chromatography; high performance liquid chromatography; mass spectrometry; metabolomics; natural product; nuclear magnetic resonance spectroscopy; secondary metabolite

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