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- Title
Unambiguous metabolite identification in high-throughput metabolomics by hybrid 1D <sup>1</sup>H NMR/ESI MS<sup>1</sup> approach.
- Authors
Walker, Lawrence R.; Hoyt, David W.; Walker, S. Michael; Ward, Joy K.; Nicora, Carrie D.; Bingol, Kerem
- Abstract
A hybrid 1D 1H NMR/ESI MS1 approach is introduced that allows accurate and unambiguous identification of catalogued, that is, known metabolites detected in 1D 1H NMR and direct infusion ESI MS1 spectra of the same sample. The approach provides more accurate identification than individual analysis of 1D 1H NMR and ESI MS1 spectra. Moreover, we developed a software tool for the approach, which works with Chenomx NMR Suite.
- Subjects
METABOLITES; ELECTROSPRAY ionization mass spectrometry; NUCLEAR magnetic resonance spectroscopy; TRIMETHYLAMINE oxide; HYDROGEN-ion concentration; METABOLOMICS
- Publication
Magnetic Resonance in Chemistry, 2016, Vol 54, Issue 12, p998
- ISSN
0749-1581
- Publication type
Other
- DOI
10.1002/mrc.4503