Verify,

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

It consists of several working modules that interact to offer you the final result:

• Full automated processing and analysis of 1D&2D NMR experimental data. (¹H NMR, HSQC).
• Full automated processing and analysis of LC/GC-MS experimental data (if available).
• Generation of theoretical data for the proposed structures.
  • ¹H, ¹³C and HSQC spectra prediction (Mnova NMRPredict).
  • Mass ion, isotopic cluster, fragmentation and MS/MS prediction.
• Comparison between experimental and theoretical data.
• Presentation/reporting of results using a novel scoring system.

It evaluates analytical data, making a compatibility judgment of the proposed structure. The output consists of:

• A summary for each proposed structure which shows a quality score that ranges from -1.0 to +1.0. This is the combination of the score and the significance.
• A detailed result for each of tests that the software has applied.

Then the system will rank the proposed structures and tell you quickly which one fits better with the experimental data.

If your results are unclear, you can easily re-work them in Mnova.

It provides QA for large volumes of data such as libraries or samples for registration QC.

The Batch mode uses the Mnova scripting engine for the verification of libraries, identifies samples that are not appropriate for assay submission. An html report is generated once you are happy with the results.

The real-time analysis (listener) mode is a fully unassisted verification analysis and report of your datasets as soon as they are acquired and found in a predefined location folder.

Both, batch and real-time automated modes require Mnova v.10 or higher. (NMR, NMRPredict and/or MS modules). Other modules such as Mnova DB or qNMR can be also used in these modes.