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Small Molecule Identification with MOLGEN and Mass Spectrometry

This paper details the MOLGEN entries for the 2012 CASMI contest for small molecule identification to demonstrate structure elucidation using structure generation approaches. Different MOLGEN programs were used for different categories, including MOLGEN–MS/MS for Category 1, MOLGEN 3.5 and 5.0 for C...

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Detalles Bibliográficos
Autores principales:	Meringer, Markus, Schymanski, Emma L.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2013
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3901272/ https://www.ncbi.nlm.nih.gov/pubmed/24958000 http://dx.doi.org/10.3390/metabo3020440

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