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OrbiFragsNets. A tool for automatic annotation of orbitrap MS2 spectra using networks grade as selection criteria

We introduce OrbiFragsNets, a tool for automatic annotation of MS2 spectra generated by Orbitrap instruments, as well as the concepts of chemical consistency and fragments networks. OrbiFragsNets takes advantage of the specific confidence interval for each peak in every MS2 spectrum, which is an unc...

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Detalles Bibliográficos
Autores principales: Chingate, Edwin, Drewes, Jörg E., Farré, María José, Hübner, Uwe
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10293764/
https://www.ncbi.nlm.nih.gov/pubmed/37383622
http://dx.doi.org/10.1016/j.mex.2023.102257