Ensuring Effective Analytical Data Management Across Multiple Experiments, Instruments, and Vendors with the ACD/Spectrus Platform

One key challenge confronted by analytical scientists is the growing need for contemporary informatics approaches that match advances in experimental methodologies. If this requirement remains unmet, the sheer amount of data generated by modern laboratories can lead to inadvertent sequestration and isolation of valuable information into discrete “data siloes”, causing important results to potentially be underutilized and/or inaccessible for future analyses. Moreover, widely used scientific informatics platforms, such as laboratory information management system (LIMS), electronic laboratory notebook (ELN), or chromatography data system (CDS) options, are not designed to manage diverse analytical data (raw values, spectra, chemical structures, etc.) and generally abstract this information into text, numbers, and images.

The ACD/Spectrus Platform, an analytical data management system (ADMS), addresses this challenge through a portfolio of interoperable products that link chemical and analytical data in a homogenous software environment. Regardless of technique and data format, varied analytical information can be assembled alongside its corresponding chemical context, while automation options help streamline analytical workflows. This brief application note presents a use-case for nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) data management on the Spectrus Platform, with a view to unify analytical processing and interpretation, as well as consolidate and simplify laboratory data management for a large and diverse group of research staff.