Thermo Scientific features a new application for rapid and confident analysis of complicated metabolic profiling data

Thermo Scientific, the world leader in analytical instrumentation, features a new metabolite identification application featuring MetWorks™ automated metabolite identification software that enables rapid and confident analysis of complicated metabolic profiling data.

Within the drug discovery environment, high sample throughput that provides comprehensive drug metabolite identification and profiling is highly desirable. A new rapid LC-MS/MS method featuring MetWorks automated metabolite identification software and the LXQ high throughput linear ion trap makes use of Data-Dependent™ acquisitions to study known metabolites and to uncover unexpected metabolites.

The identification and characterization of glyburide along with 19 metabolites is accomplished in a single LC run of approximately three minutes using the fast cycle time, high sensitivity, and excellent spectral quality of the LXQ. This approach provides a more comprehensive identification of metabolites and eliminates false positives. The use of MetWorks and Mass Frontier™ software enables rapid and confident analysis of complicated metabolic profiling data.

MetWorks 1.0 allows the analyst to focus on important compounds in complex samples and assign related structures. It is built on a novel technique utilizing MSⁿ data to automatically assign structural linkage (or spectral trees) for each analyte. The process works on the concept of unique fragmentation MSⁿ geneaology. This information is used in conjunction with mass and retention time data and provides unsurpassed confidence when comparing different data files. MetWorks integrates the features of Xcalibur™ for acquisition control and Mass Frontier™ for component detection and predicted fragmentation into one intuitive workplace.

• Leverages the advanced component detection of Mass Frontier™ to automatically generate spectral trees for rigorous comparison of samples and controls.
• Utilizes the patented Normalized Collision Energy™ enabling confident, system-dependent matching and search capabilities of spectral trees.
• Provides multiple integrated views that allow you to look at your data in a variety of ways and quickly collate the results in a master view.
• Mass Defect Filtering to help get a smaller, better data set for review.

New Featured Application

• A High Throughput Approach for Metabolite Profiling and Characterization.

This application note can be viewed on the article webpage.