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MS2Planner: improved fragmentation spectra coverage in untargeted mass spectrometry by iterative optimized data acquisition

MOTIVATION: Untargeted mass spectrometry experiments enable the profiling of metabolites in complex biological samples. The collected fragmentation spectra are the metabolite’s fingerprints that are used for molecule identification and discovery. Two main mass spectrometry strategies exist for the c...

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Detalles Bibliográficos
Autores principales:	Zuo, Zeyuan, Cao, Liu, Nothia, Louis-Félix, Mohimani, Hosein
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Oxford University Press 2021
Materias:	Macromolecular Sequence, Structure, and Function
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8336448/ https://www.ncbi.nlm.nih.gov/pubmed/34252948 http://dx.doi.org/10.1093/bioinformatics/btab279

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