Mestrelab Mnova Verify software

Automatic confirmation of structure identity based on NMR and/or LC/GC-MS data

Designed for synthetic and medicinal chemists, which automatically checks a proposed structure against a set of analytical data, LC-MS or GC-MS and/or 1D NMR and/or 2D NMR.

Benefits:

• Solution coupling NMR (1H, 13C and HSQC) and MS techniques in a commercial off-the-shelf software.
• Helps non-expert users to take decisions while reducing the workload of the experts.
• Fully automatic analysis for singletons or batch data.
• Mnova Verify checks whether the proposed compound is correct!
• Flexibly accepts a variety of inputs and generate automatically fully customized reports.
• Straightforward results check that warns about inconsistencies.

Features:

Powerful algorithm running behind the scenes

This powerful algorithm integrates multiple modules to deliver:

• Automated processing and analysis of 1D & 2D NMR (¹H NMR, HSQC) and LC/GC-MS data.
• Generation of theoretical data for proposed structures.
• Prediction of NMR spectra (¹H, ¹³C, HSQC) and MS data (mass ion, isotopic cluster, fragmentation, MS/MS).
• Comparison of experimental and theoretical data.
• Results presentation using an innovative scoring system.

Mestrelab Research: Mnova Verify - Powerful algorithm running behind the scenes

An easy and flexible scoring system

Evaluates analytical data to judge the compatibility of proposed structures:

• Provides a quality score (-1.0 to +1.0) for each structure, combining score and significance.
• Displays detailed results for each test applied.
• Ranks structures to quickly identify the best fit with experimental data.
• Allows easy re-working of unclear results in Mnova.

Mestrelab Research: Mnova Verify - An easy and flexible scoring system

Automated batch & real-time operations

Provides QA for large data volumes like libraries or registration QC samples:

• Batch Mode: Verifies libraries and identifies unsuitable samples for assay submission, generating an HTML report.
• Real-Time Analysis Mode: Performs unassisted verification of individual samples, providing immediate feedback on structure-data compatibility.
• Requires Mnova v10 or higher (NMR, NMRPredict, and/or MS modules). Additional modules like Mnova DB or qNMR can also be used.

Mestrelab Research: Mnova Verify - Automated batch & real-time operations