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.

ACD/Spectrus Processor

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.

ACD/MS Workbook Suite

Simplify component finding and structure characterizing with ACD/MS Workbook Suiteówith multi-vendor support and integrated knowledge management.

ACD/MS Fragmenter

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.

Metabolite ID Solution (MetaSense)

The software solution for efficient, comprehensive metabolite identification. Automatically generate and share biotransformation mapsówith connected spectra, chromatograms, and structuresófrom LC/MS data analysis

ACD/Labs MS Structure ID

Quickly identify structures through integrated ChemSpider searching, structural filtering, and retention time prediction.

ACD/IXCR: Intelligent Compound Recognition through Spectral Matching

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.