Efficiently separate extracts and identify fractions containing compounds of interest in less time. Our advanced tools for chromatographic separations and mixture analysis help you:
- Get input on chromatographic methods
- Deconvolute complex LC/MS and GC/MS data from mixtures
- Begin identifying components from internal and external databases
- Predict & analyze NMR spectra of mixtures
Our software enables you to identify previously reported compounds and solve the structures of novel ones in record time.
Dereplicate Known Compounds with Efficient Searching and Databasing
Quickly identify known compounds from their analytical data with our advanced spectral comparison tools using internal and external databases including the PubChem library.
Solve New Structures with Confidence and Ease
Some natural products may be crystallized to determine their structure using x-ray crystallography. But in most cases, a scientist must examine various types of analytical data and put together the complex pieces of the structural puzzle.
For this kind of de novo elucidation, our software helps you make the most of your structural data (including NMR, MS, IR, and more) with our best-in-class computer-assisted structure elucidation (CASE) expert system. Structure Elucidator Suite mimics the expert spectroscopists’ process to quickly determine plausible structures using minimal data. This gets you to the correct structure faster, and more confidently.
All our software includes features to make your natural products laboratory more efficient at every stage.
- Automate routine processing workflows with included functions or custom solutions
- Share knowledge seamlessly by processing and storing searchable analytical data in a single software environment
Protect your intellectual property with drawing and nomenclature software that helps you submit the right content for patents and publications.
“ACD/Labs' software allows us to manage our analytical work with the great ability to solve structures of natural products often without isolation directly from plant extracts and also to create a database of our work, which is a huge increase in productivity for our team. ”
“Structure Elucidator is a perfect software for solving complex structures derived from nature, it is easier to use and importantly provides solutions that otherwise cannot be easily verified by human knowledge.”