Software allows users to automatically find and label LC/MS peaks with a specified mass, and identify and label peaks with a user-specified difference from a reference mass value
Advanced Chemistry Development (ACD/Labs) announces Ion Presence, the latest improvement to its MS Manager software for processing, analysing, and managing mass spectrometric data.
Ion Presence allows users to automatically find and label LC/MS peaks with a specified mass, and identify and label peaks with a user-specified difference from a reference mass value.
This flexible new feature is useful for targeting the peaks for a parent drug and searching for expected metabolite transformations, for finding expected impurities, or for quickly identifying the targeted compound in high-throughput purity analysis.
This automatic labelling feature allows users to quickly focus in on the peaks of interest.
This feature enhances workflow as it can be applied to the extracted data at any time during data review without the need to perform data reprocessing.
Mark Bayliss, director of analytical informatics for ACD/Labs, adds: "Ion Presence peak labelling, combined with the highly sensitive LC/MS peak extraction algorithms contained in MS Manager, provides a flexible way to enhance searching for chromatographic peaks and masses of interest, simplifying the search for both major and minor components present in processed sample data".
MS Manager may be seamlessly combined with other ACD/Labs product branches to combine chromatograms, NMR, UV-visible, IR, and Raman spectra, and other analytical curves from all major instrument models and makes into a single data repository.
