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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Dettagli Bibliografici
Pubblicato in:Anal Bioanal Chem
Autori principali: 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.
Natura: Artigo
Lingua:Inglês
Pubblicazione: Springer Berlin Heidelberg 2020
Soggetti:
Research Paper
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC7021669/
https://ncbi.nlm.nih.gov/pubmed/31965249
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00216-019-02351-7
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