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DALL·E 2023-08-30 12.37.07

MRR: A Novel Structure Identification Tool


Develop Your Process with Confidence using MRR

As pharmaceuticals and fine chemicals become more complex, understanding molecular structure is crucial for the development of highly efficient processes and high-quality, safe products.  Identifying the structures of precursors, intermediates and side products can require accounting for chiral centers, regioisomeric variants, as well as other structural isomers, which can confound analytics and slow down development timelines.  Spectral analysis by MRR can help quickly and unambiguously assign molecular structures and keep your development moving forward.

MRR Provides Absolute Confidence in Your Results

  • Unambiguous Configuration: MRR spectra are highly specific to the three-dimensional structure of molecules in the gas phase allowing you to assign structures with confidence, even when molecules exhibit isomerism, chirality, or have isotopic labels.
  • Identity not Elucidation: Rotational spectra are molecular barcodes that allow for unambiguous identification, simplifying the elucidation process in other analytical workflows.
  • Simple, Scalable Workflow: Confirming your molecular structure is as easy as simulating it with our quantum chemistry workflows, measuring it on one of our MRR platforms, and confirming the structure using our proprietary fitting software.
  • Cost Savings: MRR spectra are completely independent of the matrix and the other compounds present in the sample.  This means that structural identification can be done within mixtures, eliminating the need for costly scale-up and purification.

Get in touch with us to learn more!

Deuterated Compounds Web Graphic

Precision Insights into Deuterated Pharmaceuticals

Learn how researchers at Marquette University developed a novel process for site-specifically deuterating and analyzing API's using MRR. 

Learn More


Reduce Development Times with Faster Structural Elucidation for Challenging Molecules


MRR provides more confident identification of both structural isomers and regioisomers than chromatographic or mass spectrometry-based techniques.

Deuterated Compounds

MRR's sensitivity to changes in molecular structure can easily identifies isotopic shifts, and can determine the exact composition of labelled compounds.

Chiral Compounds

MRR even provides absolute configuration for molecules with chiral centers.  By converting enantiomers into diastereomers using a tag, MRR can quickly identify absolute configuration and enantiomeric excess without a reference sample.

Beyond simplifying the elucidation process, MRR's unique approach to structure identification also simplifies daily operations and reduces consumables and solvent waste, lowering your operating costs and operational footprint.

  • Cost-Efficiency: Simplify your laboratory operations and cut costs with an easier structure ID tool. By reducing the need for expensive consumables, such as liquid nitrogen and deuterated solvents MRR provides a small environmental footprint for your lab.
  • Automated Workflow: Streamline your laboratory operations with our user-friendly, automated system. Minimize manual intervention, reduce the risk of errors, and optimize resource utilization for increased operational efficiency.

Learn more about our technology solutions

Contact us today and speak with one of out experts.


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