Personalized Metabolic Profile by Synergic Use of NMR and HRMS

Molecules. 2021 Jul 8;26(14):4167. doi: 10.3390/molecules26144167.

Abstract

A new strategy that takes advantage of the synergism between NMR and UHPLC-HRMS yields accurate concentrations of a high number of compounds in biofluids to delineate a personalized metabolic profile (SYNHMET). Metabolite identification and quantification by this method result in a higher accuracy compared to the use of the two techniques separately, even in urine, one of the most challenging biofluids to characterize due to its complexity and variability. We quantified a total of 165 metabolites in the urine of healthy subjects, patients with chronic cystitis, and patients with bladder cancer, with a minimum number of missing values. This result was achieved without the use of analytical standards and calibration curves. A patient's personalized profile can be mapped out from the final dataset's concentrations by comparing them with known normal ranges. This detailed picture has potential applications in clinical practice to monitor a patient's health status and disease progression.

Keywords: mass spectrometry; normal ranges; nuclear magnetic resonance; personalized metabolic profile; urine metabolome.

MeSH terms

  • Adult
  • Aged
  • Aged, 80 and over
  • Chromatography, High Pressure Liquid / methods
  • Cystitis / metabolism
  • Cystitis / urine
  • Female
  • Humans
  • Magnetic Resonance Imaging / methods
  • Magnetic Resonance Spectroscopy / methods
  • Male
  • Metabolome / physiology
  • Metabolomics / methods*
  • Middle Aged
  • Precision Medicine / methods*
  • Tandem Mass Spectrometry / methods
  • Urinary Bladder Neoplasms / metabolism
  • Urinary Bladder Neoplasms / urine
  • Urine / chemistry*