Evaluating the Accuracy of the QCEIMS Approach for Computational Prediction of Electron Ionization Mass Spectra of Purines and Pyrimidines

Mass spectrometry is the most commonly used method for compound annotation in metabolomics. However, most mass spectra in untargeted assays cannot be annotated with specific compound structures because reference mass spectral libraries are far smaller than the complement of known molecules. Theoreti...

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Detalles Bibliográficos
Autores principales: Lee, Jesi, Kind, Tobias, Tantillo, Dean Joseph, Wang, Lee-Ping, Fiehn, Oliver
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8779335/
https://www.ncbi.nlm.nih.gov/pubmed/35050190
http://dx.doi.org/10.3390/metabo12010068

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8779335/
https://www.ncbi.nlm.nih.gov/pubmed/35050190
http://dx.doi.org/10.3390/metabo12010068

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