Process untargeted metabolomics for unknown compound annotation

5 Dec 2019

In this application note, Thermo Scientific outline how the Thermo Scientific Orbitrap ID-X Tribrid MS and Compound Discoverer 3.0 software can be used to accelerate unknown compound annotation with confidence, from spectra to structure, in untargeted metabolomics experiments.

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Mass SpectrometryMass spectrometry (MS) is a powerful analytical technique used to identify and quantify molecules based on the mass-to-charge ratio of gas-phase ions. It provides detailed information about the structure, composition, and properties of compounds and is widely used across fields such as environmental monitoring, materials science, drug discovery and development, food and beverage testing, and wider chemical research. Key MS techniques include tandem mass spectrometry (MS/MS), liquid chromatography–mass spectrometry (LS-MS) and inductively coupled plasma (ICP-MS). Choosing from these wide range of techniques and technologies can be a daunting task, so keep up to date with scientific applications, performance expectations, and customer reviews here all in one place. Visit our product directory to receive quotes direct from the manufacturer. MetabolitesMetabolites are the intermediate and end products of metabolism. Analyzing metabolites offers insight into cellular processes and disease mechanisms and is critical in fields like pharmacology, toxicology, and diagnostics. Explore our peer-reviewed product directory to find the best tools for metabolite analysis, compare products, check reviews, and get pricing directly from manufacturers.MetabolomicsMetabolomics is the study of small metabolites (the intermediates and products of metabolism). It involves the identification and quantification of cellular metabolites using analytical technologies such as GC, HPLC, NMR, and LC/MS.Spectral Libraries
Process untargeted metabolomics for unknown compound annotation