Metabolomics research involves two approaches: untargeted analysis, which provides a broad overview of molecular changes but lacks precision, and targeted analysis, which focuses on specific metabolite groups with high accuracy. A novel method called Simultaneous Quantitation and Discovery (SQUAD) analysis has emerged to strike a balance. SQUAD combines the strengths of both methods, quantifying predefined metabolites like targeted analysis but also annotating unknown metabolites as in untargeted analysis. Thus, it enhances our understanding of molecular relationships within biological systems. In this webinar we will present the implementation of SQUAD workflow on multiple Thermo™ Scientific™ mass spectrometers. The fast polarity switching on the Thermo Scientific™ Orbitrap™ Exploris™ series enables broader coverage of metabolites, while the Thermo Scientific™ Orbitrap™ Tribrid™ platforms, with two detectors that can be utilized in parallel, provide a middle ground that blends the superior features of targeted and untargeted metabolomics. The SQUAD approach was also developed for Thermo Scientific™ Orbitrap™ Astral™ mass spectrometer. This system allows for rapid, accurate DDA MS2 analysis, enabling confident SQUAD analysis in a single injection, which allows for shorter LC gradients. We validated the use of SQUAD with samples from the Acute-to-Chronic Pain consortium (A2CPS) human cohort.

 

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