MS Workbook Suite™: Mass Spectrometry Software For Spectral Interpretation And Component Characterization
One MS Software for All Your Mass Spectral Data Analysis and Management
ACD/MS Workbook Suite is an all-in-one package for MS data handling.
- Process MS, LC/MS, and GC/MS data acquired with instruments from any major vendor
- Auto-annotate peaks and associate them with compound structures
- Identify unknowns by deconvoluting spectra and searching databases for spectral matches
- Create easily shareable and searchable spectral databases
Benefits
Complete All Your MS Processing in One Place
Auto-annotate mass spectra
- Automatically annotate molecular, fragment, and adduct ion peaks
- Better understand your spectra and sample
Identify compounds in complex samples
- Deconvolute your LC/MS and GC/MS spectra in two clicks
- Identify known compounds, or putatively identify unknowns by searching commercial and proprietary libraries
Confirm compound identity
- Increase confidence in your structure assignment
- Compare predicted fragment ions to the experimental spectrum, and see the highlighted matches.
Connect mass spectra to chemistry
- Don’t lose the context of your data. Connect peaks to structures, so you’ll immediately know what you’re looking at when you come back to your files in the future
Build your own database
- Build a spectral database from all of your organization’s data, no matter what hardware it was collected on
- Everyone can find and reuse prior work, and discover if new unknowns match previous hits
How it Works
How MS Workbook Suite Can Work for You
- Import MS, LC/MS, and GC/MS data from any major instrument vendor
- Deconvolute TICs into component XICs in two clicks
- Auto-assign spectral peaks to predicted mass fragments
- Automatically annotate mass spectra to mark molecular and adduct peaks
- Search spectral databases for any unknown component
- Report your results and upload them to a shared database
Product Features
Features of MS Workbook Suite
- Sample Characterization and Unknown Identification
- Data Import and Processing
- Quantitation of LC/UV/MS data
- MS Fragment Prediction
- Databasing, Reporting, and Integration
- Multi-Technique Data Processing and Analysis
Deployment/Integration Options
Compatible with All Your Instruments and Techniques
Your lab probably has MS instruments from many manufacturers, and that’s not counting the NMR, IR, and other analytical equipment. We help you put all your data back together again.
As the leader in vendor-agnostic chemistry software, ACD/Labs partners with dozens of vendors to support > 150 file types and thousands of instruments. So you can use the equipment you need, without worrying about having data in a dozen different formats.
More Reasons to Use MS Workbook Suite
Why Choose Third-Party Software for Your MS Processing?
MS data comes from many instruments, each with their own advantages. Some are better for targeted quantitation; some for high-resolution analysis; some for quick and cheap scans. This data will usually live in different instrument silos, but that’s not efficient.
Working with your data in our interface allows you to:
- Apply the same processing workflow to all your data for consistency
- Make use of the same characterization and fragment-prediction tools for all your data
- Easily switch between files taken on different instruments without readjusting to different interfaces and options
- Future-proof your lab so you can change instruments without retooling your analysis workflows
- Add all your spectra to one searchable database and speed up future sample characterization
- Database your data together in live format, so you can find and reprocess any file immediately
- Connect MS data with all the other analytical data used to characterize the sample