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Construction of Confidence Regions for Isotopic Abundance Patterns in LC/MS Data Sets for Rigorous Determination of Molecular Formulas

It has long been recognized that estimates of isotopic abundance patterns may be instrumental in identifying the many unknown compounds encountered when conducting untargeted metabolic profiling using liquid chromatography/mass spectrometry. While numerous methods have been developed for assigning h...

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Detalles Bibliográficos
Autores principales: Ipsen, Andreas, Want, Elizabeth J., Ebbels, Timothy M. D.
Formato: Texto
Lenguaje:English
Publicado: American Chemical Society 2010
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2930401/
https://www.ncbi.nlm.nih.gov/pubmed/20690638
http://dx.doi.org/10.1021/ac101278x