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Identification of Unknown Metabolomics Mixture Compounds by Combining NMR, MS, and Cheminformatics

Abigail Leggett1, Cheng Wang2, Da-Wei Li3

  • 1Ohio State Biochemistry Program, The Ohio State University, Columbus, OH, United States.

Methods in Enzymology
|January 15, 2019
PubMed

Keywords:
3D NMR HSQC-TOCSYCOLMAR databaseFT-ICR MSMetabolite structure elucidationMetabolomicsNMR-MS hybrid approachSUMMIT MS/NMRUnknown metabolite identificationUnknowns

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