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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...
Autores principales: | Chingate, Edwin, Drewes, Jörg E., Farré, María José, Hübner, Uwe |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Elsevier
2023
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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 |
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