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ACD/Labs Blog

Sarah Srokosz
Choosing the right NMR data analysis software is crucial for extracting meaningful insights from your experiments. Important factors to consider include compatibility with various data formats, advanced analysis capabilities, ease of use, deployment options, and customization potential. Carefully considering these aspects will help you choose the right software to streamline your workflows and improve data accuracy.

Mikhail Elyashberg
The structure of Boerelasin B (molecular formula C29H35NO4) was determined from 1D and 2D NMR spectra as well as by comparison of the spectroscopic data with those of a known similar structure isolated from the same fungus. The NMR data obtained were used by us for challenging Structure Elucidator Suite.

Mikhail Elyashberg
The structure elucidation of norflavicansone, a proton-deficient metabolite, was carried out using CASE and DFT calculations with Structure Elucidator Suite.

Baljit Bains
The choice of mass analyzer can have a significant impact on the resolution, accuracy, and speed of the mass spectrometry analysis; making it crucial for scientists to understand the various types available and their respective advantages.

Sarah Srokosz
NMR spectroscopy's versatility as both a qualitative and quantitative tool makes it indispensable in modern analytical laboratories. Explore a selection of the sophisticated capabilities of NMR data and how ACD/Labs’ portfolio of software for NMR data analysis enhances these workflows.

Mikhail Elyashberg
The 1H NMR spectrum of Hectoramide B (molecular formula C34H50N4O7) was remarkably similar to that of the previously determined structure of hectoramide A. This posed a difficult structure elucidation, but by introducing minor structural constraints into Structure Elucidator Suite, this challenging problem was solved in a few minutes (in this case using the IR spectrum).

Baljit Bains
Sustainability is a growing concern in all aspects of life, and scientists have a unique role in finding solutions to environmental problems. One area where chemists can have a profound impact is the selection of catalysts.

Mikhail Elyashberg
The structure of janthinolide A was established using MS spectrometry in combination with 1D and 2D NMR data (molecular formula C23H32N2O7), however it was later amended with the use of Structure Elucidator Suite combined with DFT based NMR chemical shift prediction.

Sanji Bhal
There are a number of common misconceptions about software in validated environments. Many arise because previous deployments of software accompanied the installation of new hardware, or have involved informatics systems that are the source of data and reports submitted directly to regulatory authorities. Here we clear up some of the grey areas that seem to have become industry myths.

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