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Automatic Peak Tracking in Arrayed NMR Data

It is quite common for NMR peaks or multiplets to move position (chemical shift) through the course of an arrayed experiment. Sometimes this may be undesired […]
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Mestrelab peer reviewed papers

Application of 19 F time-domain NMR to measure content in fluorine-containing drug products

It is necessary to show that the active content in the dosage form of drugs is within a certain narrow range of the label claim.

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Mestrelab peer reviewed papers

An Integrated Approach to Structure Verification Using Automated Procedures

Spectroscopic methods – of which nuclear magnetic resonance (NMR) is one of the most vital players – have almost entirely replaced those old “wet chemistry”-based approaches and the art has become a science.

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Mnova-SMA-alerts-set-up

The alert set-up: The smart way to spot any inconsistencies

Checking for any inconsistencies in your results:

The alert set-up is an important SMA feature that can be configured to give you feed-back when it does not find the multiplets you specify and expect. We call these “Alerts”.

From the “Experiment” panel, you can configure SMA in terms of the alerts it may show.

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Mnova SMA - formula editor

Formula Editor: Design your quantitation analysis

The way the spectral integrals are converted into meaningful, quantitative information in SMA is manually determined by you using the Formula Editor located in the “Experiment” panel. You have full control over the calculation method and you define how quantification is performed for a constituent by entering basic maths functions in the formula editor.

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Mnova SMA - creating a library

How to create a new library and experiments SMA

Customize your own mixtures analysis:

If you were happy testing the provided worked example (Brucine with spiked ether) explained in our “getting started” guide then it is your turn to create your own library of compounds and experiments.

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J Med Chem statement on Chemical Purity

There has been a long-standing discussion on the best way to report synthetic compound purity. qNMR must be the clear favourite, and many have argued this […]
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qNMR of mixtures: what is the best solution to signal overlap?

If you have been following my recent talks and posters – see SMASH 2014, e.g. – you will know that I have a strong interest in […]
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Interesting publication: validating benzoic acid quantitation in fruit juices

Many Mnova users are very interested in quantitation, whether of pure, single compounds or mixtures. I thought I’d bring this paper to your attention in case […]
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