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In silico MS/MS spectra for identifying unknowns: a critical examination using CFM-ID algorithms and ENTACT mixture samples

High-resolution mass spectrometry (HRMS) enables rapid chemical annotation via accurate mass measurements and matching of experimentally derived spectra with reference spectra. Reference libraries are generated from chemical standards and are therefore limited in size relative to known chemical spac...

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Detalles Bibliográficos
Autores principales:	Chao, Alex, Al-Ghoul, Hussein, McEachran, Andrew D., Balabin, Ilya, Transue, Tom, Cathey, Tommy, Grossman, Jarod N., Singh, Randolph R., Ulrich, Elin M., Williams, Antony J., Sobus, Jon R.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer Berlin Heidelberg 2020
Materias:	Research Paper
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7021669/ https://www.ncbi.nlm.nih.gov/pubmed/31965249 http://dx.doi.org/10.1007/s00216-019-02351-7

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