ACD/MS Manager

What's New

Version 5.0 to 6.0

Input/Output

• Import simultaneously all data sets including Diode Array Detector (DAD) and analog channel data from the Agilent Technologies (HP) format.
• Import single mass spectra (profile and stick) and chromatogram curves (directly to ChromManager) from the JEOL-DX data format.
• Export single mass spectra and chromatography/MS data sets into the JCAMP and netCDF data formats.
• Export all curves selected in the Table of Mass Chromatograms to ChromManager.

Processing Features

• Process (peak pick, center (centroid), smooth) and display profile data.
• Autocombine options and macro commands will form and store sets of combined spectra with their own tables of parameters automatically.
• Select level of mass accuracy for CODA, COMPARE LC/MS, Spectrum, and Ion Searches.
• Autolabel an adjustable number of most abundant peaks in the chromatogram.
• Process and store structures including their isotope labels with the spectra.
• Many new options are provided to manage the Spectrum User Data: 1) the fields can be renamed, reordered, added, or deleted; 2) Data Forms Manager allows you to create customized dialog boxes (Data Forms) to facilitate User Data input; 3) User-designed forms are stored in the local forms library; and 4) User Data can be exported or imported to/from textual files.
• Autoassign expanded by providing optional fragmentation rules.
• Automatically transfer of the molecular formula for an attached structure to the Formula field of the Isotope Pattern Calculator.
• Search for an unknown spectrum using Macro commands.

Display and Table Features

• Return to previously zoomed regions with Zoom history.
• Display relative or detector intensity for the Chromatogram or mass spectrum. Synchronize spectra according to (X) or (X, Y) axis with detector intensity.
• Study the 3D view of your raw or processed chromatography/MS or DAD data sets as contour plots or maps.
• Attach and store Markush, polymer, and isotopic structures (non-processable except for isotopic labels in MS Processor).
• Independently display (or hide) the labels and annotations.
• Common display preferences are assembled into one convenient dialog box.
• Select Spec Viewer or Manager to edit a spectrum in the database window.
• Electronic signature capability with document integrity safeguards.
• Right-Clicking the spectrum display can be set to turn on the Zoom (traditional) or to provide a context sensitive shortcut menu for the active processing mode.
• Improved Report page: 1) Custom user template reports, and 2) Simple or Template reports can be copied to ChemSketch, printed, or exported to PDF with macro or user interface.