Thermo Fisher Scientific Launches MetWorks™ 1.1.0 Metabolite Identification Software
SAN DIEGO, Calif., (November 13, 2007) – Thermo Fisher Scientific Inc., the world leader in serving science, today launched MetWorks™ 1.1.0, an updated version of its proven metabolite identification software. Thermo Scientific Metworks™ 1.1.0 software facilitates automated acquisition, processing and reporting of LC/MSn data in support of biotransformation studies. MetWorks software is compatible with all Thermo Scientific mass spectrometers capable of performing MS/MS and MSn fragmentation. In addition, MetWorks allows high resolution accurate mass data from the Thermo Scientific LTQ Orbitrap™ and LTQ FT™ instruments to be fully leveraged.
MetWorks™ 1.1.0 software features enhanced tools that facilitate distinguishing xenobiotic components from endogenous biological matrix interferences in LC/MSn chromatograms and spectra. Key improvements to the software include:
- Automatic generation of a Data-Dependent Parent Mass Table (DDPT)
- Component filtering to exclude duplicates originating from adducts and isotopic contributions
- Flexibility to apply up to six multiple mass defect filters (MMDF’s), which are based on high-resolution, exact mass and mass deficiencies of the parent-drug and its putative metabolites. Chromatograms and spectra filtered using MMDF’s contain fewer endogenous compounds and excipient materials, thereby reducing the manual intervention of eliminating false positives from the results. Isotopic spectral pattern recognition techniques, as well as MSn spectral correlation procedures are used to identify common product ions and mass shifts related to specific fragment neutral losses
- The structure column in the MetView™ table can be used to attach a molecular structure drawing (.mol file) to a potential putative candidate
Integration of Mass Frontier™ predictive fragmentation software within the MetWorks™ 1.1.0 workflow process has drastically improved the assessment for automated metabolite identification studies. Mass Frontier™ predictive fragmentation tools significantly decrease the time researchers require to confidently identify and generate lists of drug metabolites. MetWorks™ 1.1.0 collates and converts this information, including calculated elemental formulae, chemical structures and chromatograms into easy-to-read reports. In addition, the software supports storage of user-generated mass spectral libraries.
This powerful and flexible data-mining tool for small molecules will be demonstrated in a new, pre-recorded webinar. Entitled “MetWorks™ 1.1.0 Software for the Confident Analysis of Putative Biotransformation Data”, the webinar is available for download from www.thermo.com/mseminar.
For more information about Thermo Scientific MetWorks™ 1.1.0 Software, please call +1 800-532-4752, e-mail analyze@thermofisher.com or visit www.thermo.com/metabolism .
Mass Frontier™ is a trademark of HighChem, Ltd.
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Thermo Scientific is part of Thermo Fisher Scientific, the world leader in serving science.
About Thermo Fisher Scientific
Thermo Fisher Scientific Inc. (NYSE: TMO) is the world leader in serving science, enabling our customers to make the world healthier, cleaner and safer. With an annual revenue rate of more than $9 billion, we employ 30,000 people and serve over 350,000 customers within pharmaceutical and biotech companies, hospitals and clinical diagnostic labs, universities, research institutions and government agencies, as well as environmental and industrial process control settings. Serving customers through two premier brands, Thermo Scientific and Fisher Scientific, we help solve analytical challenges from routine testing to complex research and discovery. Thermo Scientific offers customers a complete range of high-end analytical instruments as well as laboratory equipment, software, services, consumables and reagents to enable integrated laboratory workflow solutions. Fisher Scientific provides a complete portfolio of laboratory equipment, chemicals, supplies and services used in healthcare, scientific research, safety and education. Together, we offer the most convenient purchasing options to customers and continuously advance our technologies to accelerate the pace of scientific discovery, enhance value for customers and fuel growth for shareholders and employees alike. Visit www.thermofisher.com .
