High-confidence structural annotation of metabolites absent from spectral libraries

Untargeted metabolomics experiments rely on spectral libraries for structure annotation, but, typically, only a small fraction of spectra can be matched. Previous in silico methods search in structure databases but cannot distinguish between correct and incorrect annotations. Here we introduce the C...

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Detalles Bibliográficos
Autores principales: Hoffmann, Martin A., Nothias, Louis-Félix, Ludwig, Marcus, Fleischauer, Markus, Gentry, Emily C., Witting, Michael, Dorrestein, Pieter C., Dührkop, Kai, Böcker, Sebastian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group US 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8926923/
https://www.ncbi.nlm.nih.gov/pubmed/34650271
http://dx.doi.org/10.1038/s41587-021-01045-9

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8926923/
https://www.ncbi.nlm.nih.gov/pubmed/34650271
http://dx.doi.org/10.1038/s41587-021-01045-9

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