New Approach Combining Molecular Fingerprints and Machine Learning to Estimate Relative Ionization Efficiency in Electrospray Ionization

[Image: see text] Electrospray ionization (ESI) is widely used as an ionization source for the analysis of complex mixtures by mass spectrometry. However, different compounds ionize more or less effectively in the ESI source, meaning instrument responses can vary by orders of magnitude, often in har...

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Detalles Bibliográficos
Autores principales: Mayhew, Alfred W., Topping, David O., Hamilton, Jacqueline F.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7191837/
https://www.ncbi.nlm.nih.gov/pubmed/32363303
http://dx.doi.org/10.1021/acsomega.0c00732

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7191837/
https://www.ncbi.nlm.nih.gov/pubmed/32363303
http://dx.doi.org/10.1021/acsomega.0c00732

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