ACD/Method Development Suite for LC/MS
What's New
Version 10.0 to 11.0
- Overlay UV or MS spectra for comparison of components across injections
- New option to assign newly extracted components as Rejected or Irrelevant
- UV-Mutual Automated Peak Matching enhancements
- Specify the minimum number of injections in which a component must be detected in order to be Relevant
- Ignore components that are not detected at all pH values
- Improved quality of LC/UV peak picking
- MS-Mutual Automated Peak Matching enhancements
- Areas specified for peaks extracted by MS-MAP
Improvements to Component Reconciliation
- Control the accuracy of component reconciliation. Specify different accuracies for detector reconciliation and subsample reconciliation
Enhanced Strategy Creation
- Update the instrument configuration over the course of a project to expand the experimental design space
- Column screening strategy creation now considers the % minimum organic value
- Merge or split waves
Advancements to the Table of Components
- Switch between the Table of Components (all components for the project are listed) and a new Table of Peaks (only components detected in the current experiment)
- Monoisotopic mass of the neutral compound is calculated from MS-MAP and listed in the table
- Structures with chemical weights that are inconsistent with [M+H]+ or [M-H]- values are highlighted
- Transfer peak labels between detectors from the same injection
- New command to erase all unassigned peaks
- New command to clear all peak labels
Changes to the Experiments Subwindow
- Two new data columns—number of rejected peaks, and number of unnamed peaks added to Experiments table
- Error check process for file reimport
Improved Ease-of-Use
- Create retention models for method optimization within the AutoChrom Console Task window
- Execute default commands on double-click for most subwindows
Additional Features
- Create ACD/ChromGenius databases from Method Development Suite projects
Download a PDF copy of the expanded details on What's New with ACD/Method Development Suite for LC/MS, or contact your Account Manager or Distributor.
Version 9.0 to 10.0
ACD/Method Development Suite for LC/MS is a new product which upgrades the capabilities of ACD/Method Development Suite 9.0 to support LC/MS data. ACD/Method Development Suite 9.0 has been renamed ACD/Method Development Suite for LC/UV for version 10.0.
New LC/MS Data Support
- See the full list of supported MS data types here
Automated Peak Matching between Datasets
- For LC/UV datasets
- For LC/MS datasets
Project Management
- Manage and summarize all files associated with method development project:
- View a collapsible Table of Peaks which summarizes your injections
- Manage and summarize composite samples, and visualize composite chromatograms
- Store your experimental data and LC Simulator predictions in one place, to quickly understand the rationale behind your experiments
- View chromatograms and spectra alongside your peak tables
Method Development Assistant
- Guided method development
- Configure method development strategies
- Software suggests the next experiment based on ACD/LC Simulator optimization
New Processing Features
- Automatic attachment of chemical structures from an SDfile to labeled chromatographic peaks
- Automatic attachment of chemical structures to chromatograms by sample name
LC/UV Processing
- Peak picking for LC/UV (DAD, PDA) datafiles, not simply the Total Absorbance Chromatogram as in previous versions
- Retention time, peak height, and wavelength of the peak maximum in the UV-spectrum are added to the Table of Peaks
- UV-spectrum is retained
- Automatic baseline correction for LC/UV datafiles removes the spectrum of the solvent background
- Peak picking now available for Single UV-Trace(s0, not simply the Total Absorbance Chromatogram
- Transfer peak information from one LC/UV dataset to another with Manual Peak Matching tool
Enhancements to file import:
- Method parameters may now be imported directly from 32-bit Agilent ChemStation files.
- Import is now available for Waters Empower 2 files.
- Includes direct import of LC/UV (PDA) files.
- Direct import of HPLC parameters and gradient program(s) from Waters MassLynx LC/UV (PDA) files.
- Direct import of HPLC parameters and gradient program(s) from Agilent ChemStation LC/UV (DAD) files
ACD/Chromatography Applications Database increased in size, and now contains 7349 applications.
Version 8.0 to 9.0
Among the new features of ACD/Method Development Suite are:
- New file import formats:
- Method parameters may now be imported directly from Agilent ChemStation, reducing the amount of manual data entry.
- Agilent *.ch (chromatograms), *.uv (diode array detector (DAD)), and *.msd (mass spectrum) file formats can now be imported into ACD/ChromManager.
New Database features:
- Secondary properties (calculated, modeled) may now be calculated from a set of primary (observed, measured) data by adding formulas and scripts with mathematical, logical, and comparison operators to create new User Data fields. Use this feature to flag records with null or incongruous data, identify records meeting certain sets of criteria, and more.
- Plate navigation of the database is now supported for remote (SQL) databases. The well plate navigation tool available in the standard ACD/ChromManager database is now available for ACD/ChromManager Enterprise.
- The Tile and Table views of the database allow you to select which database entries to display at once. Select records according to spectral, property, structure, or other parameters visible in Table view.
- The Applications Database included with ACD/ChromManager was updated with new applications, and now contains over 7100 HPLC, GC, and CE separations.
For a full list of new features, please review the What's New pages for ACD/ChromManager, ACD/LC Simulator, ACD/Chromatography Applications Database, and ACD/ChemSketch. Alternately, contact your account manager, distributor, or email sales@acdlabs.com.
Version 7.0 to 8.0
ACD/Method Development Suite features a number of prominent features added for the version 8.0 release.
Among them:
- Ability to predict analyte pKa values prior to method development
- Enhanced support of Photodiode Array Detection (PDA, DAD) records associated with chromatography data
- Enhanced data visualization and interpretation that allows users to display their data as a Contour Map, Dual Plots, Map and Plots, and Aligned Plots, and enable enhanced data comparison
- Expanded ACD/Chromatography Applications Database
- Suite now includes ACD/Column Selector to help you select a suitable substitute column for your experiments
For the complete list of new features, please review the relevant pages of ACD/ChromManager, ACD/LC Simulator, ACD/Chromatography Applications Database, and ACD/ChemSketch.
Version 6.0 to 7.0
Numerous new features are added to the software included in ACD/Method Development Suite. Among these are:
- Seamless Import of Dionex Chromeleon™ 6 and PerkinElmer TotalChrom™ 6 file formats.
- Nonlinear gradient elution models and new Gradient Program Generator.
- Ability to assign an identifier to peaks or structures to facilitate processing of series and peak identification.
Please review the specific product descriptions for further detail: ACD/ChromManager, ACD/LC Simulator, ACD/GC Simulator, ACD/Chromatography Applications Database, and ACD/ChemSketch.
Version 5.0 to 6.0
Numerous new features are added to all the programs that are combined in the ACD/Method Development Suite to ensure fast and easy chromatographic method development. Please refer to the specific product descriptions for further detail.
New Special Feature:
- Chromatographic Smart Search estimates an approximate retention time for new compounds directly in the Applications Database based on the similarity search results and the prediction equations stored with the chromatographic applications. ACD/LC Simulator allows you to calculate the prediction equation for your chromatographic separation and to transfer it to a database, together with the rest of the application data.
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