| Feature |
Method Development Suite for LC/MS |
Method Development Suite for LC/UV |
| General purpose |
Chromatographic Method Development for LC/UV, LC/MS data |
Chromatographic Method Development for LC/UV data |
| LC/MS Capabilities |
| Track peaks between LC/MS datasets automatically with the MS-MAP algorithm |
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| Automatically assign [M+H]+ or [M-H]- for each chromatographic component |
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| Label chromatographic components with the mass of [M+H]+ or [M-H]- |
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| Reconcile components between multiple detectors (LC/MS and LC/UV), injections, or samples |
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| Process and reprocess LC/MS data using ACD/MS Processor or ACD/IntelliXtract |
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| Remove the solvent background for LC/MS using the CODA algorithm |
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| Preview the mass spectrum for a chromatographic peak within the project management interface |
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| Review spectral similarity; using the Circles tool to overlay mass spectra from different components or injections |
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| Reconcile components between MS and UV detectors |
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| LC/UV Capabilities |
| Track peaks between LC/UV datasets automatically with the UV-MAP algorithm |
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| Reconcile components between LC/UV datasets for injections or samples |
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| Detect and remove the solvent spectrum from LC/UV data |
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| Maintain links to raw LC/UV data |
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| Preview the UV spectrum for a chromatographic peak within the project management interface |
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| Review spectral similarity; using the Circles tool to overlay UV spectra from different components or injections |
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| Project Management Capabilities |
| Summarize peak retention times in an expandable table for all experiments, injections, and detectors |
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| Organize data for composite samples |
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| View a composite chromatogram for an experiment which sums the components for all subsamples |
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| Maintain links to the raw datafiles, and click the link reprocess the data if necessary |
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| Ignore irrelevant components without deleting the information |
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| Store ACD/LC Simulator method optimization files with the method development project |
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| Track additional project information with user notes |
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| Method Development Assistant |
| Develop and execute method development strategy |
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| Specify the success criteria for each stage of method development |
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| Use the Method Development Assistant to automatically suggest the next experiment for you to perform |
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| Manual Method Optimization Capabilities |
| Calculate the pKa from chemical structure |
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| Push chromatograms to ACD/LC Simulator to optimize many types of chromatographic method parameters |
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| Application Database Capabilities |
| Search ACD/ChromManager databases by structure to find the best starting point for method development |
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| Build ACD/ChromManager databases of your final methods |
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