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New insights into the Van Krevelen diagram: Automated molecular formula determination from HRMS for a large chemical profiling of lichen extracts

INTRODUCTION: In recent years, LC‐MS has become the golden standard for metabolomic studies. Indeed, LC is relatively easy to couple with the soft electrospray ionization. As a consequence, many tools have been developed for the structural annotation of tandem mass spectra. However, it is sometimes...

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Detalles Bibliográficos
Autores principales: Ollivier, Simon, Jéhan, Philippe, Olivier‐Jimenez, Damien, Lambert, Fabian, Boustie, Joël, Lohézic‐Le Dévéhat, Françoise, Le Yondre, Nicolas
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9796888/
https://www.ncbi.nlm.nih.gov/pubmed/35789004
http://dx.doi.org/10.1002/pca.3163