ConCISE: Consensus Annotation Propagation of Ion Features in Untargeted Tandem Mass Spectrometry Combining Molecular Networking and In Silico Metabolite Structure Prediction

Recent developments in molecular networking have expanded our ability to characterize the metabolome of diverse samples that contain a significant proportion of ion features with no mass spectral match to known compounds. Manual and tool-assisted natural annotation propagation is readily used to cla...

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Detalles Bibliográficos
Autores principales: Quinlan, Zachary A., Koester, Irina, Aron, Allegra T., Petras, Daniel, Aluwihare, Lihini I., Dorrestein, Pieter C., Nelson, Craig E., Wegley Kelly, Linda
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9786801/
https://www.ncbi.nlm.nih.gov/pubmed/36557313
http://dx.doi.org/10.3390/metabo12121275

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