Mass Spectrometry & Spectroscopy
Enhanced Software for Analytical Data Management
Sep 15 2023
ACD/Labs has introduced the v2023 software applications on the Spectrus® Platform, enhancing analytical data handling and knowledge management. The latest release focuses on improving structure characterisation, analytical data management, and data sharing with third-party applications.
Andrew Anderson, Vice President of Innovation and Informatics Strategy at ACD/Labs, expressed their commitment to anticipating the R&D community's needs. This release aims to streamline scientists' workflows, reduce repetitive tasks, and maximise the value of analytical data.
The v2023 software update brings several advancements:
In the realm of NMR (Nuclear Magnetic Resonance), an updated PubChem library provides quicker structure identification, support for external standard quantitative NMR studies, improved reporting for complex projects, and expedited computer-assisted structure elucidation (CASE).
For Mass Spectrometry (MS), it introduces a display of all relevant information in mass spectral searches, an expanded range of quantitation options, and greater ease and flexibility in peak naming.
Chromatography support is also enhanced, now including Agilent's OpenLab, along with improved capabilities to ease method transfer between instruments and laboratories.
Moreover, v2023 improves data management by allowing scientists to review, compare, and edit analytical results across multiple experiments. It also offers expanded search options and enhanced record set management.
To meet the needs of data scientists, this release expands data export capabilities, enabling the export of NMR and xC/UV/MS data to the interoperable and machine-readable JSON format.
This announcement follows the recent release of v2023 Percepta software and foreshadows further expansions in the Spectrus JS portfolio later this quarter.
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