MetQuest* Automated Quan/Qual Metabolic Screening Software

Understanding and documenting the metabolism of drug candidates is a key step in early-stage drug discovery. Traditionally, triple quadrupole systems using multiple reaction monitoring (MRM) methods have been used for compound quantitation. While the specificity of MRM is a key strength of these systems, it is also a limitation. MRM methods are effective in detecting a particular compound, but information about other components present in the sample, such as metabolites, may not be captured unless an MRM method is pre-defined to detect them. Traditional methods also requires time-consuming selection and optimization of MRM parameters, such as precursor ions, product ions, declustering and collision energies, for each target analyte of interest. The time, effort and skill level required is significant for laboratories that must analyze many new chemical entities every day.

• Orbitrap-based Quan/Qual analysis in a single injection
• Data acquisition without tuning for specific compounds
• Automatic generation of metabolic stability plots
• Unbiased full-scan data to find expected metabolites
• Designed to provide drug discovery labs performing metabolism (DMPK) studies with significant time and cost savings when compared to traditional MRM methods
• In combination with the industry-proven Thermo Scientific Exactive or LTQ Orbitrap family of Liquid (LC/MS) systems, MetQuest software makes it possible to routinely perform relative quantitative and qualitative analyses in the same run
• Collects and stores high-resolution, accurate mass full-scan data—no information is lost from mass filtering
• Data can be retrieved and interrogated again at any time without re-running experiments
• Patented Orbitrap technology is ideal for compound identification and high-throughput screening because of its ultra-high mass resolution filters out chemical noise such as isobaric interferences from biological matrices, enabling low detection limits and fewer false positives
• The processing methods have been specifically developed to automatically process full-scan high resolution data for compound identification from even the most complex biological matriceswith intelligent elemental composition confirmation
• Does not require time-consuming MS/MS method development and optimization—acquisition methods are easy to set up and a single method can be used for multiple compounds
• Automated generation of metabolic stability plots from the processed data saves time compared to manual generation of plots using other software