Mnova qNMR

Mnova qNMR is a powerful and easy-to-use solution for quantitative NMR data analysis, developed by Mestrelab Research. It is designed to accurately and efficiently determine the concentration and/or purity/potency of compounds, making it well-suited for analytical chemists, pharmaceutical researchers, and laboratories involved in fragment-based drug discovery, synthetic chemistry, and quality control workflows.

The platform supports a wide range of referencing approaches — including internal and external reference standards as well as electronic referencing methods such as ERETIC, QUANTAS, and PULCON — and can operate in manual, assisted, or fully automated modes. Batch processing and real-time (RT) automation capabilities make it particularly effective for high-throughput analyses.

Key Features

• Configurable concentration and purity methods: Mnova qNMR supports both concentration and purity analyses, allowing users to tailor calculation methods using standards, solvent signals, or artificial references.
• Automatic metadata reading: The software automatically reads acquisition parameters such as receiver gain and number of scans, ensuring consistent accuracy across experiments.
• Automatic assignment and structure verification: Integrated automatic assignment and automatic structure verification enhance data reliability throughout the analysis process.
• Single and replicate experiment support: Methods can be applied to both single experiments and replicate datasets to accommodate diverse analytical workflows.
• Customizable and reusable methods: Users can build, save, and reuse quantitation methods to ensure reliable, repeatable, and consistent results across projects and instruments.
• Instant quantitation: Concentration or purity results are delivered quickly from NMR integrals without requiring heavy processing, deconvolution, or tedious manual integration.
• Batch and real-time capabilities: Multiple samples can be processed automatically in batch mode, or data can be quantitated as it is acquired with minimal user intervention.

Workflow and Automation Benefits

• Confidence in data: Standardized, expert-defined methods combined with automation reduce human error, ensuring robust and reliable results across different users and instruments.
• Time saving: Automating qNMR removes the need for manual integration and calculations, accelerating workflows and increasing overall throughput.
• Faster reporting: Fully formatted reports are generated with a single click, eliminating extra steps and significantly reducing reporting time.
• Scalable throughput: Batch and real-time automation allow efficient processing of large numbers of samples without adding to user workload.

Support Resources

• Mnova Training Session for Quantitative NMR
• Mnova Manual and supported file formats documentation
• qNMR Purity Recipes Book
• Guidance on integration best practices, including edited sum integration for qNMR
• Resources on qGSD (Quantitative Global Spectral Deconvolution) and optimal pulse length for qNMR acquisition
• Latest qNMR experiments and technical articles

Mnova qNMR is part of the broader Mnova software ecosystem, which includes complementary tools such as Mnova NMR, Mnova SMA for mixture analysis, USP-ID for automated qNMR workflows, and Mnova Reaction Monitoring. It is applicable to compound identification and quantification solutions and is supported by webinars and published articles covering automated qNMR data processing in contexts such as fragment-based drug discovery.