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Mass Spectrometry Software

Expert Mass Spec Software for Data Processing, Spectral Interpretation, and Structure Characterization

ACD/Labs’ mass spectrometry software offers a range of options, from routine to advanced packages, for ensuring efficient and effective MS data handling and analysis for small molecules. Accelerate LC/UV/MS & GC/MS spectral processing, component extraction, and structure characterization using a vendor-neutral platform that includes comprehensive knowledge management and reporting capabilities.

ACD/Spectrus Processor

Process and interpret all analytical data in one common interface, including GC/MS, LC/UV/MS, NMR, IR, and more. Complete routine structure verification and access several spectral databases.

ACD/MS Workbook Suite

Process spectra, extract components, identify unknown peaks, and store live GC/MS & LC/UV/MS data with ACD/MS Workbook Suite, all in an integrated, vendor-neutral software environment.

ACD/MS Fragmenter

Predict mass fragmentation in seconds with ACD/MS Fragmenter. Explore fragmentation pathways, perform unbiased reviews of all possible fragments, and create full-featured reports with ease.

ACD/MS Structure ID Suite

Perform comprehensive structure characterization with ACD/MS Structure ID Suite. Identify unknown components by screening their accurate mass and/or predicted molecular formula against the local PubChem database.


Master traditional metabolite identification challenges, while saving time and enhancing collaboration, with MetaSense. Autogenerate biotransformation maps complete with all corresponding LC/UV/MS spectral, chromatographic, and structural data.