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Software Tools and Approaches for Compound Identification of LC-MS/MS Data in Metabolomics

The annotation of small molecules remains a major challenge in untargeted mass spectrometry-based metabolomics. We here critically discuss structured elucidation approaches and software that are designed to help during the annotation of unknown compounds. Only by elucidating unknown metabolites firs...

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Detalles Bibliográficos
Autores principales:	Blaženović, Ivana, Kind, Tobias, Ji, Jian, Fiehn, Oliver
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2018
Materias:	Review
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6027441/ https://www.ncbi.nlm.nih.gov/pubmed/29748461 http://dx.doi.org/10.3390/metabo8020031

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