Molecular networking and collision cross section prediction for structural isomer and unknown compound identification in plant metabolomics: a case study applied to Zhanthoxylum heitzii extracts
Valentina Calabrese, Isabelle Schmitz‐Afonso, Candice Prevost, Carlos Afonso, Abdelhakim Elomri
Topics & Concepts
MetabolomicsChemistryMass spectrometryTandem mass spectrometryChromatographyIon-mobility spectrometryComputational biologyBiologyMetabolomics and Mass Spectrometry StudiesAnalytical Chemistry and ChromatographyComputational Drug Discovery Methods