Journal
ANALYTICAL CHEMISTRY
Volume 91, Issue 11, Pages 7373-7378Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.analchem.9b01235
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Funding
- NIH (National Institute of General Medical Sciences) [2R01GM085291]
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The complexity of biological mixtures continues to challenge efforts aimed at unknown metabolite identification in the metabolomics field. To address this challenge, we provide a new method to identify related peaks from individual metabolites in complex NMR spectra. Extractive ratio analysis NMR spectroscopy (E-RANSY) builds on our previously described ratio analysis method [Wei et al. Anal. Chem. 2011, 83, 7616-7623] and exploits the simplified NMR spectra provided by the extraction of metabolites under varied pH conditions. Under such conditions, metabolites from the same biological specimen are extracted differentially, and the resulting NMR spectra exhibit characteristics favorable for unraveling unknown metabolite peaks using ratio analysis. We demonstrate the utility of the E-RANSY method by extracting carboxylic acid containing metabolites from human urine, one of the highly complex biological mixtures encountered in the metabolomics field. E-RANSY performs better than STOCSY and the original RANSY method and offers new avenues to identify unknown metabolites in complex biological mixtures.
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