Mass spectrometry is a key tool in the identification and quantification of knowns and unknowns. Employing the highest resolution and mass-accuracy systems together with software designed to target compounds, synthetic chemists and QC/QA chemists have solutions to deliver the ultimate data.
SmartFormula 3D — unique molecular formula generation combining accurate mass and isotopic pattern information in MS and MS/MS spectra.
CompoundCrawler — query correct molecular formulae against databases like ChemSpider, Metlin and KEGG.
FragmentExplorer — an interactive link between SmartFormula 3D results, mass spectra and molecular structures, based on ChemDraw and designed for faster interpretation of MS/MS data.
GC-APCI Source — identify unknowns in GC-MS based workflows.