Mestrelab > Mnova > Verify

Verify

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

Automated structure verification is becoming more widely used to quickly reject incorrect structures prior to submission to company compound repositories and biological assays.

It is a tool designed for synthetic and medicinal chemists, which automatically checks a proposed structure against a set of analytical data, LCMS or GCMS and/or 1D NMR and/or 2D NMR.

Mnova Verify also works in full automation. Check out Mnova Gears Verify

  • Mnova Verify requires Mnova NMR, NMRPredict, and MSChrom licenses are required for an optimal verification.
  • For NMR use only, Mnova NMR and NMRPredict licenses are required.
  • For MS use only, a Mnova MSChrom license is required.

Automatic atom to peak assignments

Verify: 45-day free trial version

product_icon_download 1. Download

Verify is a plugin integrated in Mnova. No extra installer is required.

product_icon_install 2. Installation

Open Mnova and go to ‘Help/Get-Install Licenses’. Select ‘Evaluate’.

product_icon_license 3. License

Fill in the form to receive your trial license via e-mail.

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VERIFY

Highlights
Scores the compatibility of the proposed structure and the data

Ask Mnova if your compound matches the desired structure!

  • Fully automatic analysis for singletons or integrated into automation workflows
  • Non-expert users can quick-check results
  • Checks whether the proposed compound is correct!
  • Flexibly accepts a variety of inputs and generate automatically fully customized reports.
  • Human readable reporting will warn you if any inconsistencies are found.

VERIFY

Features

Powerful algorithm running behind the scenes

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.

An easy and flexible 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.

Verification in Automation mode

The Mnova Gears Verify Brick runs using the engine of Mnova Verify plugin in background to integrate your verification analyses to a fully automated workflow.

It quickly and efficiently analyzes data acquired in Real-Time or in large Batches and generates automatic reports that will save you huge amounts of time!

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

Academic, Government & Industrial

Markets

  • Pharmaceutical, chemical and food industries, research and QC environments
  • Process chemistry
  • Pharmaceutical compound libraries
  • Suitable for individual users, research groups as well as large institutions and companies