Bruker is the developer of the CMC-se Software package for simple structure elucidation, particularly small molecule elucidation.
With its innovative approach, CMC-se accelerates the spectroscopist’s workflow during the elucidation process by automating many of the key analysis and interpretation steps. In combination with Bruker’s AVANCE™ NMR spectrometer product line, CMC-se is the only elucidation tool that integrates high quality NMR data acquisition with sophisticated software analysis. CMC-se further expands its capabilities to full data set structure verification. The use of long range correlations adds an extra layer of confidence, producing results with maximum reliability.
Highlights
Simple and efficient structure elucidation of small molecules in drug discovery and natural products research
Automates many of the necessary analysis and interpretation steps
Seamless integration of NMR acquisition and sophisticated software analysis
Unique in class for its robustness, tolerates mistakes in the data by eliminating invalid correlations
Flexible interface allows the user to introduce any previous or acquired knowledge about the structure, dramatically decreasing the structure calculation time
Enables both accomplished researchers and beginners to expedite the elucidation of unknown substances in diverse pharmaceutical and chemical applications
Organizes the data for a molecule into a single project, and provides unique graphical tools for data visualization and interpretation
Results are structures with chemical shift assignments and atoms correlations, in electronic format, ready to be reported or exported