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Enhancing untargeted metabolomics using metadata-based source annotation [PDF]

Nature Biotechnology, 2022
Human untargeted metabolomics studies annotate only ~10% of molecular features. We introduce reference-data-driven analysis to match metabolomics tandem mass spectrometry (MS/MS) data against metadata-annotated source data as a pseudo-MS/MS reference ...
Wout Bittremieux, Candace L Williams, Kelly C Weldon   +2 more
exaly   +3 more sources

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Comparison of Widely Targeted Metabolomics and Untargeted Metabolomics of Wild Ophiocordyceps sinensis

Molecules, 2022
Run Luo, , Yu Hong
exaly  

Advanced analytical and informatic strategies for metabolite annotation in untargeted metabolomics

TrAC - Trends in Analytical Chemistry, 2023
Yuping Cai, Zhiwei Zhou, Zheng-Jiang Zhu   +2 more
exaly  

Chromatography hyphenated to high resolution mass spectrometry in untargeted metabolomics for investigation of food (bio)markers

TrAC - Trends in Analytical Chemistry, 2021
Leticia Lacalle-Bergeron, David Izquierdo-Sandoval, Juan V Sancho   +2 more
exaly  

The Application of Ion Mobility-Mass Spectrometry in Untargeted Metabolomics: from Separation to Identification

Journal of Analysis and Testing, 2020
Zheng-Jiang Zhu, Zhu Zheng-Jiang
exaly  

Reference materials for MS-based untargeted metabolomics and lipidomics: a review by the metabolomics quality assurance and quality control consortium (mQACC)

Metabolomics, 2022
Katrice A Lippa, Juan J Aristizabal-Henao, Richard D Beger   +2 more
exaly  

Integration of Untargeted and Pseudotargeted Metabolomics for Authentication of Three Shrimp Species Using UHPLC-Q-Orbitrap

Journal of Agricultural and Food Chemistry, 2021
Peng Zhong, Xiaoqun Wei, Anastasios Koidis   +2 more
exaly  

A Workflow to Perform Targeted Metabolomics at the Untargeted Scale on a Triple Quadrupole Mass Spectrometer

ACS Measurement Science Au, 2021
Michaela Schwaiger-Haber, Ethan Stancliffe, Valerie Arends   +2 more
exaly