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

Frontiers in Bioengineering and Biotechnology
Sean R Johnson, Bernd Markus Lange

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.

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Methods Mentioned

BETA
nuclear magnetic resonance
NMR

Software Mentioned

rNMR
MassBank
COLMAR
MetFrag
Molfile
MetaboHunter
MetaCyc
SMILES
InChI
Mass

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