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Updated: May 18, 2026

An Integrated Workflow of Identification and Quantification on FDR Control-Based Untargeted Metabolome
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An Integrated Workflow of Identification and Quantification on FDR Control-Based Untargeted Metabolome

Published on: September 20, 2022

Fragmentation trees for the structural characterisation of metabolites

Piotr T Kasper1, Miguel Rojas-Chertó, Robert Mistrik

  • 1Netherlands Metabolomics Centre, Einsteinweg 55, Leiden, The Netherlands.

Rapid Communications in Mass Spectrometry : RCM
|September 8, 2012
PubMed
Summary

This study introduces a new method using multistage mass spectrometry and fragmentation trees for accurate metabolite identification in metabolomics. This approach enhances the analysis of complex samples, improving compound characterization and distinguishing structural isomers.

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