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MetWorks 1.1.0 metabolite identification software updated
December 2007
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Thermo Fisher Scientific Inc. introduces MetWorks 1.1.0, an updated version of its metabolite identification software. Thermo Scientific Metworks 1.1.0 software facilitates automated acquisition, processing and reporting of LC/MS 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; and the structure column in the MetView table can be used to attach a molecular structure drawing (.mol file) to a potential putative candidate
Thermo Fisher
1 800-532-4752

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