Comprehensive comparison of in silico MS/MS fragmentation tools of the CASMI contest: database boosting is needed to achieve 93% accuracy

In mass spectrometry-based untargeted metabolomics, rarely more than 30% of the compounds are identified. Without the true identity of these molecules it is impossible to draw conclusions about the biological mechanisms, pathway relationships and provenance of compounds. The only way at present to a...

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Detalles Bibliográficos
Autores principales: Blaženović, Ivana, Kind, Tobias, Torbašinović, Hrvoje, Obrenović, Slobodan, Mehta, Sajjan S., Tsugawa, Hiroshi, Wermuth, Tobias, Schauer, Nicolas, Jahn, Martina, Biedendieck, Rebekka, Jahn, Dieter, Fiehn, Oliver
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2017
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5445034/
https://www.ncbi.nlm.nih.gov/pubmed/29086039
http://dx.doi.org/10.1186/s13321-017-0219-x

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5445034/
https://www.ncbi.nlm.nih.gov/pubmed/29086039
http://dx.doi.org/10.1186/s13321-017-0219-x

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