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
