Identification of Unknown Metabolomics Mixture Compounds by Combining NMR, MS, and Cheminformatics

Metabolomics aims at the comprehensive identification of metabolites in complex mixtures to characterize the state of a biological system and elucidate their roles in biochemical pathways. For many biological samples, a large number of spectral features observed by NMR spectroscopy and mass spectrom...

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Vydáno v:Methods Enzymol
Hlavní autoři: Leggett, Abigail, Wang, Cheng, Li, Da-Wei, Somogyi, Arpad, Bruschweiler-Li, Lei, Brüschweiler, Rafael
Médium: Artigo
Jazyk:Inglês
Vydáno: 2018
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On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC6953983/
https://ncbi.nlm.nih.gov/pubmed/30638535
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/bs.mie.2018.09.003
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