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Molecular Formula Identification with SIRIUS

We present results of the SIRIUS(2) submission to the 2012 CASMI contest. Only results for Category 1 (molecular formula identification) were submitted. The SIRIUS method and the parameters used are briefly described, followed by detailed analysis of the results and a discussion of cases where SIRIU...

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Detalhes bibliográficos
Main Authors: Dührkop, Kai, Scheubert, Kerstin, Böcker, Sebastian
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI 2013
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3901276/
https://ncbi.nlm.nih.gov/pubmed/24958003
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/metabo3020506
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