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Predicting RP-LC retention indices of structurally unknown chemicals from mass spectrometry data

Non-target analysis combined with liquid chromatography high resolution mass spectrometry is considered one of the most comprehensive strategies for the detection and identification of known and unknown chemicals in complex samples. However, many compounds remain unidentified due to data complexity...

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Detalles Bibliográficos
Autores principales:	Boelrijk, Jim, van Herwerden, Denice, Ensing, Bernd, Forré, Patrick, Samanipour, Saer
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer International Publishing 2023
Materias:	Research
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9960388/ https://www.ncbi.nlm.nih.gov/pubmed/36829215 http://dx.doi.org/10.1186/s13321-023-00699-8

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