Chemical shift variations in common metabolites

Fatema Bhinderwala,Heidi E Roth, Hannah Noel, Dennis Feng,Robert Powers

Journal of Magnetic Resonance（2022）

引用 4|浏览7

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摘要

•Chemical shift variability is a serious problem in NMR metabolomics.•Chemical shift errors lead to high false positive and false negative rates.•Chemical shift variance on a per NMR resonance was measured for common metabolites.

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关键词

pH,Temperature,1H NMR,Automated metabolite assignment,Biofluids

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