Product category:
Spectroscopy software
News Release from: Advanced Chemistry Development | Subject: MS Manager 8.0
Edited by the Laboratorytalk Editorial
Team on 22 March 2004
Mass spectrometry software is enhanced
Mass chromatogram interface and analysis features have been streamlined and significantly improved to provide a quicker and more efficient mass chromatogram review process
Advanced Chemistry Development, (ACD/Labs) enhances its mass spectrometry software offering by focusing on ease of use and cross-vendor data compatibility in the version 8.0 release of MS Manager ACD/Labs supports the industry's most common and up to date instrument vendor formats, along with a number of generic formats, to bring software homogeneity to the laboratory
This article was originally published on Laboratorytalk on 5 Feb 2004 at 8.00am (UK)
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Mass spectrometry data processing streamlined
Major enhancements to generic component extraction techniques will simplify and streamline the complex process of finding the individual components of interest
Streamlining MS data extraction and correlation
The new correlation analysis algorithms determine the similarity or dissimilarity between successive spectra, and allow for the extraction of chromatographic components
Version 8.0 simplifies the process of importing data from vendors' files by including enhanced import dialogue boxes that are tailored to vendor-specific conventions and approaches, including Thermo Electron Xcalibur, MDS Sciex Analyst, PE Sciex Wiff, and Waters MassLynx.
MS Manager 8.0 also contains new import filters to support Mariner Ascii LC/MS, Varian 1200, Shimadzu LCMSsolution, Bruker Esquire LC/MS ion trap, Agilent LC/MSD trap, and Thermo Galactic Profile, GC/MS, and LC/MS file formats.
In version 8.0 of ACD/MS Manager, the mass chromatogram interface and analysis features have been streamlined and significantly improved to provide a quicker and more efficient mass chromatogram review process.
Further reading
Chemical structures at your fingertips
Palm-compatible software allows storing, browsing, and searching of sophisticated chemical databases containing structures and analytical information on any standard Palm OS-based PDA
2D NMR verification of chemical structures
The verification and automated assignment of chemical structures using 1H, 13C, and 15N NMR prediction has now has been extended to include 2D NMR
Mass chromatograms which are extracted using component detection algorithm (Coda), CompareLcms, or the mass chromatogram mode are now always available for further spectral extraction.
This provides for rapid spectral identification of components of interest without the need for further time-consuming spectral background subtraction.
The improved table of mass chromatograms enables the user to sort priority across three columns to better organise table data, and provides a facility to create and visualise a mass chromatogram that corresponds to the sum of all manually selected mass spectra.
Mass chromatograms can also be normalised to display the maximum of each trace for better visualisation and comparison, making it easier to determine co-eluting chromatographic peaks, and compare mass chromatograms with peak intensities that may differ by orders of magnitude.
Other usability features in version 8.0 include data display and interface navigation enhancements that enable the user to switch between as many as 50 windows, with the assurance that the program will remember the processing position and state of each window when you switch back.
New macro-data processing capabilities also add to the usability of the software, enabling you to automate the calculation of mass chromatograms, as well as export mass chromatograms or TICs, and perform automated correlation analyses.
Mark Bayliss, mass spectrometry product manager at ACD/Labs, states: "By constantly listening to the needs of our users, our focus for the development strategy of version 8.0 has been to make MS Manager dramatically easier to use for data extraction and spectral elucidation.
"After all, being able to extract data with confidence from complex data sets is the key to successful spectral elucidation".
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