In forensic toxicology, the challenge of identifying compounds of interest and reporting results quickly becomes difficult due to the nature of complex forensic samples and the limited abilities of analysis software to produce reports in acceptable formats.
ACD/Labs software offers alternatives to instrument vendor software packages with advanced algorithms for dealing with complex matrices to extract components and identify compounds, as well as flexible knowledge management tools to create customized reports, incorporating all of the information you need, with the click of a button.
Use a single application to handle data more efficiently, interpret more thoroughly, and report more quickly.
Supporting data formats from most major instrument vendors, ACD/Labs can import raw or processed data files from GC/MS, LC/MS, IR, Raman, and other optical spectroscopy techniques from Thermo, AB SCIEX, Waters, Agilent, Bruker, Varian, Shimadzu, and other instruments. Use a single software application to process, interpret, and report all of your analytical data!
ACD/Labs LC/MS and GC/MS software offers the capability to deconvolute complicated matrices and extract all of the components, even those at trace concentration or when co-eluting with other peaks. Background noise is minimized so that only relevant components are extracted and a mass spectrum for each component is constructed.
IR and Raman software includes tools for peak deconvolution using an iterative process of adjusting peak positions, intensities, widths, and shapes in order to fit the calculated summary curve to the points in the experimental spectrum.
Screen samples for all of the known compounds you need to find or eliminate, then identify other components that may be present. Search in-house reference libraries of spectral and chromatographic data, or a range of commercial mass spectral libraries from Wiley and NIST, and IR and Raman databases from Coblentz, ST Japan, and FDM to quickly identify components.
Create customized reports that incorporate all of the information you need with just a few clicks. Handling all analytical information in a single application allows you to create reports with more information or less; creating summaries or detailed reports including chromatograms, spectra, structures, text-based notes, and any other supporting information.
Building a database of spectral and chemical data is a convenient way to share information across groups or geographic locations. Spectral data from a variety of analytical techniques such as GC/MS, LC/MS, IR, Raman and other optical techniques, and from any variety of instruments can be combined in a single repository that can be searched within an organization or remotely through a web-based interface. Manage access with secure logins and authentication to protect the data from unauthorized use, or allow wider access to other organizations or the public.