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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 |
Automatic atom to peak assignments
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Verify
Ask Mnova if your compound matches the desired structure!
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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
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.
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.
Verify Academic, Government & Industrial
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Verify
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✈：No. 377, Nanjing Road, Shibei District, Qingdao, Shandong
☏：0532-83818797 / 18561885100
✉：changzhu_ ji@tlwb.com.cn shuochao_dai@tlwb.com.cn support@tlwb.com.cn
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