Thermo Scientific features a new application for rapid and confident analysis of complicated metabolic profiling data
21 Nov 2006Product news
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.
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Thermo Scientific LXQ Linear Ion Trap Mass Spectrometer
Thermo Fisher ScientificThe LXQ, designed for drug discovery, forensics, proteomics and a variety of industrial applications, offers fast cycle time with the increased sensitivity of a linear ion trap, at an attractive price. Technology You Can Trust From the leaders in linear ion trap technology High sensitivity for detection of multiple analytes in complex matrices Confident structural identification Fast cycle times for high-throughput analyses Patented linear ion trap design enables high-quality MSn characterization Routine protein and peptide analysis Maximize LC/MS information with rapid and reliable compound detection and structural identification A high-throughput strategy, including simultaneous identification and quantification of multiple drugs, is necessary to accelerate lead optimization. Such studies provide feedback to guide synthesis efforts, and to optimize pharmacokinetic and safety characteristics of drug candidates. The combination of fast cycle time and high spectral quality using the LXQ is key to quickly screening for drugs and their metabolites. Quantification and robustness for forensics The LXQ delivers high accuracy and precision for quantitative analysis, along with a linear dynamic range of four orders of magnitude. The high ion storage capacity of the LXQ linear ion trap provides reliable quantification in complex matrices with superior qualitative results. Increase productivity with reliable instrument operation The Ion Max™ source and the LXQ offer outstanding robustness for the most demanding analytical applications. As leading innovators of ion trap technology, Thermo ion traps are built from the best-integrated designs resulting in long-term operation and consistent spectra generation. Rapid screening for proteomics The LXQ offers routine protein and peptide identification. The LXQ delivers high sensitivity MS/MS spectra for resolving coeluting peptides often seen in protein digests. The high spectral quality of the LXQ results in high correlation scores for confident sequence identification.