ACD/MS Manager

What's New

Version 11.0 to 12.0

• Processing
  • New supported file formats
  • More efficient ACD/Labs format for LC/MS data
  • Algorithm enhancements for S/N, baseline, and peak quality
• Databasing
  • Update the SpecManager database with linked documents from UV-Map

Download a PDF copy of the expanded details on What's New with ACD/MS Manager, or contact your Account Manager or Distributor.

Version 10.0 to 11.0

Advancements to Fragment Assignment

• Negative ion fragmentations added
• Additional fragmentation reactions for positive ions have been added to the fragmentation rule set

Improved Ease of Use

• New shortcuts for displaying mass chromatograms
• Better synchronization of two or more data files
• Ability to dock the Table of Mass Chromatograms
• Easier to resize the Table of Mass Chromatograms
• New commands for reviewing the Table of Mass Chromatograms—Keep All Records Expanded, Keep All Records Selected, and Remember All Selected

Updates to Supported File Types

• New Shimadzu GC/MS (*.qgd) data import filter has been added
• Support for Varian *.xms data files
• Conversion of NIST SDfile libraries, including structures and mass spectra, to separate *.esp files via the MS File Splitter/Converter
• New Agilent LCMS 6000 (*.bin) import filter that supports data from Agilent 6000 series instruments

Enhancements to Ion Presence Labeling

• Specify a retention time range for ion presence labeling lists

Improved LC/UV (PDA, DAD) Data Processing

• Set the minimal wavelength for processing
• Exclude the solvent front from LC/UV data processing
• New virtual separation parameter to help resolve overlapping chromatographic components
• 2D-peak picking calculation results output to Table of Peaks
• Better quality peak picking
• Easier transfer of LC/UV data to ACD/Matrix

New Database Features

• Add multiple chromatograms to the same database record
• Spectral linking allows chemical structures for child documents

New Macro Commands

• Automatically display all mass chromatograms at once within the chromatogram window with new SetMCTableAllExpandedSelected command
• Average and subtract mass spectra over specific retention time ranges with new Combine command

Other New Features

• Mass column in Table of Formulae renamed Monoisotopic Mass
• New default settings for AutoAssign function
• New default display settings

Download a PDF copy of the expanded details on What's New with ACD/MS Manager, or contact your Account Manager or Distributor.