Prediction of Retention Time and Collision Cross Section (CCS(H+), CCS(H–), and CCS(Na+)) of Emerging Contaminants Using Multiple Adaptive Regression Splines

[Image: see text] Ultra-high performance liquid chromatography coupled to ion mobility separation and high-resolution mass spectrometry instruments have proven very valuable for screening of emerging contaminants in the aquatic environment. However, when applying suspect or nontarget approaches (i.e...

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Detalles Bibliográficos
Autores principales: Celma, Alberto, Bade, Richard, Sancho, Juan Vicente, Hernandez, Félix, Humphries, Melissa, Bijlsma, Lubertus
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9709913/
https://www.ncbi.nlm.nih.gov/pubmed/36280383
http://dx.doi.org/10.1021/acs.jcim.2c00847

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