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Magnetic Resonance in Chemistry, 2016 The introduction of a universal data format to report the correlation data of 2D NMR spectra such as COSY, HSQC and HMBC spectra will have a large impact on the reliability of structure determination of small organic molecules. These lists of assigned cross peaks will bridge signals found in NMR 1D and 2D spectra and the assigned chemical structure ...
Damien Jeannerat
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Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature, 2003 Antonio Rosato
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Analytical chemistry, 2015
A customized metabolomics NMR database, termed (1)H((13)C)-TOCCATA, is introduced, which contains complete (1)H and (13)C chemical shift information on individual spin systems and isomeric states of common metabolites. Since this information directly corresponds to cross sections of 2D (1)H-(1)H TOCSY and 2D (13)C-(1)H HSQC-TOCSY spectra, it allows the
Kerem, Bingol +3 more
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A customized metabolomics NMR database, termed (1)H((13)C)-TOCCATA, is introduced, which contains complete (1)H and (13)C chemical shift information on individual spin systems and isomeric states of common metabolites. Since this information directly corresponds to cross sections of 2D (1)H-(1)H TOCSY and 2D (13)C-(1)H HSQC-TOCSY spectra, it allows the
Kerem, Bingol +3 more
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MetaboAnalyst 5.0: narrowing the gap between raw spectra and functional insights
Nucleic Acids Research, 2021Zhiqiang Pang +2 more
exaly
NMR Databases and Tools for Automatic Interpretation of Spectra of Carbohydrates
, 2009 Claus‐Wilhelm von der Lieth
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Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra
Nature Biotechnology, 2020Kai Dührkop +2 more
exaly