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ACD/Labs Blog

This release expands structure characterization functionality for scientists, improves analytical data management and assembly across analytical techniques and data formats, and further supports proliferation of data from the Spectrus platform to third party data science applications. Toronto, CANADA (September 12, 2023)—ACD/Labs, an informatics company that develops and commercializes software in support of R&D, today announced...

Mass spectrometry is a powerful analytical tool that enables scientists to identify and quantify molecules with remarkable precision. At the heart of MS lies the ionization process. Understanding the different ionization methods in mass spectrometry enables selection of the most appropriate technique to accurately analyze your data.

Extractable and Leachable (E&L) testing requires scientists to gather, analyze, and curate immense amounts of analytical data. Facing the challenge of identifying hundreds of potential unknowns with no commercial databases to search from is no small feat. Using the structure verification and knowledge management capabilities in MS Structure ID Suite, Medtronic has created a data-handling...

How ACD/Labs Simplifies GC/MS & LC/UV/MS Project Management Modern mass spectrometrists are expected to detect and identify components with greater efficiency, despite increasing sample complexity and shrinking analytical group sizes. Mass spectrometrists require advanced informatics solutions that offer comprehensive coverage of MS analysis, interpretation, and reporting functions. Learn how ACD/Labs’ software strategies benefit mass spectrometrists...

Mass spectrometry (MS) is a valuable tool that can give you vast amounts of MS data to help you identify and quantify components. MS has been used to discover, determine, and quantify sample compounds in the proteomics, metabolomics, imaging, and glycomics applications across the food, pharmaceutical, and environmental industries. Combining MS with appropriate software and computer technology allows the possibility for more extensive applications. But first, we must understand the basics.

AstraZeneca uses ACD/Labs software to make analytical data accessible as part of their Global Analytical Database. In this presentation, you’ll get an overview of how this database is used by chemists and analysts for data processing, data storage, and knowledge sharing. Two case studies are also shown to highlight how access to centralized data can...

Sanofi partnered with ACD/Labs to develop an automated lab tool combining LC/MS and 1H NMR to help organic chemists efficiently verify their structures. This tool collects, compiles, and evaluates the analytical data and the proposed structure once they are available, and sends the results to the chemist. The pilot project for this system is presented...

Novartis employs a variety of ACD/Labs software in support of structure elucidation and structure verification in pharmaceutical development and post-commercialization. Here they present: Their workflow for structure identification and elucidation for impurities and degradants Time-savings from automated structure verification—a system supporting research chemists for several years The importance of integrated, centralized data management in impurity...

At Medtronic, Cindy and Joe are responsible for the characterization of known and unknown compounds. When they needed to upgrade their instruments several years ago they also built their requirements for the analysis software they wanted to find and deploy: Instrument vendor and data format agnostic Integrated with existing ELN and LIMS Traceability (audit trail,...

The Pfizer Structure Elucidation Group (SEG) spans two continents, supporting research and development in the UK and USA. In this presentation John talks about their structure elucidation workflow for assisted data processing and analysis, and centralized data management. John also presents some interesting case studies of puzzled they have solved.