Automated LC-HRMS(/MS) Approach for the Annotation of Fragment Ions Derived from Stable Isotope Labeling-Assisted Untargeted Metabolomics

[Image: see text] Structure elucidation of biological compounds is still a major bottleneck of untargeted LC-HRMS approaches in metabolomics research. The aim of the present study was to combine stable isotope labeling and tandem mass spectrometry for the automated interpretation of the elemental co...

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Detalhes bibliográficos
Main Authors: Neumann, Nora K. N., Lehner, Sylvia M., Kluger, Bernhard, Bueschl, Christoph, Sedelmaier, Karoline, Lemmens, Marc, Krska, Rudolf, Schuhmacher, Rainer
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2014
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4126838/
https://ncbi.nlm.nih.gov/pubmed/24965664
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ac501358z
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