Metabolomics by UHPLC-MS: benefits provided by complementary use of Q-TOF and QQQ for pathway profiling

Metabolomics. 2019 Aug 28;15(9):120. doi: 10.1007/s11306-019-1585-3.

Abstract

Introduction: Non-targeted metabolic profiling using high-resolution mass spectrometry (HRMS) is a standard approach for pathway identification despite technical limitations.

Objectives: To assess the performance of combining targeted quadrupole (QQQ) analysis with HRMS for in-depth pathway profiling.

Methods: Serum of exercising patients with type 1 diabetes (T1D) was profiled using targeted and non-targeted assays.

Results: Non-targeted analysis yielded a broad unbiased metabolic profile, targeted analysis increased coverage of purine metabolism (twofold) and TCA cycle (three metabolites).

Conclusion: Our screening strategy combined the benefits of the unbiased full-scan HRMS acquisition with the deeper insight into specific pathways by large-scale QQQ analysis.

Keywords: Metabolism; Non-targeted; Pathways; Targeted.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Citric Acid Cycle
  • Diabetes Mellitus, Type 1 / blood*
  • Diabetes Mellitus, Type 1 / metabolism
  • Humans
  • Limit of Detection
  • Male
  • Metabolome*
  • Metabolomics / methods*
  • Metabolomics / standards
  • Physical Conditioning, Human
  • Purines / metabolism
  • Spectrometry, Mass, Electrospray Ionization / methods*
  • Spectrometry, Mass, Electrospray Ionization / standards
  • Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization / methods*
  • Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization / standards

Substances

  • Purines