www.nmrdb.org: Resurrecting and Processing NMR Spectra On-line

Abstract

NMR spectroscopy is certainly the analytical methodology that provides the most information about a molecule but the long-term vision of this information is often lacking. We present here two innovative tools accessible free from the web. NMR assigner allows a chemical structure to be assigned to the corresponding NMR spectrum by simply drawing lines between atoms and automatically characterized signals. NMR resurrector allows NMR spectra to be recreated from published in-line experimental parts enabling the recovery of this lost knowledge.

Keywords

• Eln
• Erm
• Lims
• Nmr spectrum assignment
• On-line processing