Mass Spectrometry Software
Advanced prediction, processing, and interpretation software for mass spectroscopy techniques.
ACD/Labs' Mass Spectrometry software offers efficient and effective ways to handle small molecule MS data from routine processing, advanced processing, and interpretation to databasing and reporting. All of our software is vendor neutral, accepting data and spectrum files from major instrument vendors.
Process and interpret all analytical data in one common interface, including LC/GC/UV/MS, NMR, IR, and more. Gain assistance with routine structure
verification and access to spectral databases.
Simplify component finding and structure characterizing with ACD/MS Workbook Suite—with multi-vendor support and integrated knowledge management.
Predict mass fragmentation in seconds with ACD/MS Fragmenter. Explore fragmentation pathways, gain unbiased review of all possible fragments,
and create full-featured reports with ease.
The software solution for efficient, comprehensive metabolite identification. Automatically generate and share biotransformation maps—with connected spectra, chromatograms, and structures—from LC/MS data analysis
Quickly identify structures through integrated ChemSpider searching, structural filtering, and retention time prediction.
Reduce the time spent on manual interpretation and validation of GC/MS spectra with Intelligent Compound Recognition from ACD/Labs. Chromatograms
are automatically extracted, and components identified via spectral matches from internal or commercial databases.