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Multi-technique Analytical Data Processing and Interpretation with ACD/ChemAnalytical Workbook

An All-In-One Software Package to Get Answers from Your Analytical Data

Industry-Leading Data Processing and Chemical Characterization, No Matter the Technique or Instrument Vendor

Process, interpret, analyze and review NMR, chromatography, MS, IR, and other analytical data, in one powerful interface. ACD/ChemAnalytical Workbook provides support for all major instrument vendor data formats (view supported data formats), and assistance with confirmation that spectral data matches a given chemical structure or structural fragment(s). Retain your interpretations and assignments, and create publication-ready data with a few clicks.

Robust Database Creation and Knowledge Management Tools

Use ACD/ChemAnalytical Workbook to create customized databases containing live data, including spectra, structures, metadata, and notes, to promote knowledge preservation for both current and future projects. Construct in-house databases efficiently, or access one of the numerous included commercial spectral libraries (i.e., ST Japan's IR Demo Library). Internal and public databases can be readily searched using spectral, structural, and text-based parameters, plus data sharing tools allow for effortless collaboration between colleagues.

Learn More About the Technique-Specific Functionality

List of Features


Here we present an analysis method that reliably peak-picks and identifies multiplets in the 13C spectra of organic compounds. This technique is based on accurately predicting the 19F coupled 13C spectrum of the proposed compound.
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The ability to quickly and reliably separate and identify active components in natural product mixtures "using bio-assay and/or mass spectrometry guided fractionation" is critical for successful natural product-based drug discovery. Dereplication is the practice of screening active compounds early in the development process, to recognize and eliminate compounds that have been previously studied. This enables scientists to focus on testing truly 'unknown' compounds.
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