BrightHub™ Simulation Software for Molecular Rotational Resonance (MRR) Spectroscopy

Accelerate Structure Confirmation with BrightHub

BrightHub is BrightSpec's simulation software for molecular rotational resonance (MRR) spectroscopy. Designed to support molecular analysis and structure confirmation, BrightHub enables users to generate simulated rotational spectra from three-dimensional molecular structures and evaluate candidate conformers prior to experimental measurement.

By creating a direct connection between molecular modeling and MRR analysis, BrightHub helps scientists accelerate method development, improve analytical confidence, support structure identification without reference standards, and streamline workflows that support structure confirmation.



Assessing Molecular Suitability

BrightHub comes with a suite of tools that use the physical properties of proposed molecules to assess their feasibility for analysis by MRR and guide method development downstream.  Find compounds on PubChem or import from your chemical drawing program of choice.

Benefits

  • Submit via CAS # or geometry file

  • Evaluate your compounds before you compute

  • Optimize your methods

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Brighthub Software spectra

Simulate Rotational Spectra from Molecular Structures

BrightHub provides a simple and standardized workflow for simulating rotational spectra from molecular structures. Using quantum chemistry calculations, users can predict molecular rotational spectra, which can be used to identify their target molecule.​

Benefits

  • Submit and track your quantum chemistry calculations

  • Download directly to your personal libraries in Edgar

  • Fine-tune method development parameters

Knowledge Base & Chat

BrightHub comes with the Ask Edgar Knowledge Base and chat function to answer your questions about MRR and BrightSpec's platforms and their operation,

Benefits

  • Easily reference materials for your development

  • Chat with the knowledge base for complex questions

  • Stay up to date with application notes and other content.

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software results brighthub edgar

Integrated MRR Spectroscopy Workflows

BrightHub works seamlessly with Edgar Acquisition and Analysis Software to create a continuous workflow for molecular rotational resonance spectroscopy from spectral prediction through acquisition, analysis, and quantitation. 

 

Why BrightHub?

Predict Rotational Spectra

Predict Rotational Spectra

Generate simulated rotational spectra directly from molecular structures.

Evaluate Conformers

Evaluate Conformers

Assess candidate conformations and identify those most likely to contribute to the measured spectrum. 

Support Structure Confirmation chart

Reference-Free Structure Identification

Enable structure identification workflows without the need for physical reference standards.

Accelerate Method Development

Accelerate Method Development


Reduce analytical uncertainty and support analytical planning before experimental measurement. 

See BrightHub in Action

Follow a complete workflow from spectral prediction through structural identification and quantitation using the spectraMRR.

Resources

Explore software-driven workflows for molecular identification, structure validation, and analysis of MRR data.

Application Notes Molecule BrightHub Software MRR spectroscopy

Structure-Specific Identification of Impurities in Complex Mixtures Using MRR

Discover how molecular rotational resonance identifies and differentiates structurally related lactones. 

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Application Notes Molecule Brighthub Sotware MRR spectosocpy

Structure Validation: Automated MRR Library Building for Confident Molecular Identification

Explore automated workflows for structure validation and spectral library creation.

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