Reactivity-based identification of oxygen containing functional groups of chemicals applied as potential classifier in non-target analysis

Abstract In this work, we developed a reactivity-based strategy to identify functional groups of unknown analytes, which can be applied as classifier in non-target analysis with gas chromatography. The aim of this strategy is to reduce the number of potential candidate structures generated for a mol...

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Bibliographic Details
Main Authors: Milena Latz, Alexander Böhme, Nadin Ulrich
Format: Article
Language:English
Published: Nature Portfolio 2023-12-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-023-50240-y