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Customized Metabolomics Database for the Analysis of NMR (1)H–(1)H TOCSY and (13)C–(1)H HSQC-TOCSY Spectra of Complex Mixtures

[Image: see text] 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 o...

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Bibliografische gegevens
Hoofdauteurs: Bingol, Kerem, Bruschweiler-Li, Lei, Li, Da-Wei, Brüschweiler, Rafael
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: American Chemical Society 2014
Online toegang:https://ncbi.nlm.nih.gov/pmc/articles/PMC4051244/
https://ncbi.nlm.nih.gov/pubmed/24773139
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ac500979g
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