Flexible hierarchy system for spectral and chromatographic data makes it possible to link a series of spectra with individual chromatographic peaks from a reference chromatographic trace
Advanced Chemistry Development (ACD/Labs) introduces the latest developments for its ChemAnalytics portfolio of products, which now enable the binding together of chromatographic and different spectral data types within the processing and database storage environments.
At the centre of the collaborative analytical elucidation process is a need to bring together the many different spectroscopic processes that are used to elucidate chemical entities.
ACD/Labs says it has created a flexible hierarchy system for spectral and chromatographic data that makes it possible, for example, to link together a series of NMR, mass, and IR spectra, with individual chromatographic peaks from a reference chromatographic trace.
This significant enhancement provides a consolidated way to store work-in-progress analytical data and compound reference information.
This latest development to the SpecManager portfolio of products encompasses the 1D NMR Manager, 2D NMR Manager, Chrom Manager, MS Manager, UV-IR Manager, and Curve Manager Modules.
Mark Bayliss, director of analytical informatics for ACD/Labs, states: "The last few years have seen a significant shift in the industry with the increased adoption of electronic lab notebooks (ELNs).
"One factor in this drive is undoubtedly the business need to track vital information and data used to make critical decisions during all key processes with a chemical development process.
"ACD/Labs further enables this collaborative information management process with our latest release of ACD/SpecManager products".
Antony Williams, VP and Chief Science Officer for ACD/Labs, adds: "SpecManager has delivered a platform for ChemAnalytics support to many analytical laboratories in the chemical and pharmaceutical industries.
"The capabilities to allow direct association of spectral data with chromatographic peaks delivers on our commitment to support data association in a format requested by many of our users, and illustrates our continued commitment to supporting user needs and innovating new solutions".
ACD/SpecManager is the overall spectroscopic processing and data management system that consolidates structure, spectra, and other analytical data from any technique into a single platform for unified analysis and dissemination throughout the enterprise.
In addition to server- or browser-based access through Oracle-based client-server architecture, ACD/Labs also incorporates into its analytical data management solution the Workflow Manager system to manage samples, structures, and analytical data, and the Automation Server utility for automated data collection, processing, and database population.
