2P-14 PDF
Component-Combination Analysis to Assign Ion Peaks of Multi-Components Complexes Mass Spectra in Soft Ionization
We developed a new computational method which can assign ion peaks obtained by soft ionization mass spectrometry. Monoisotopic masses of formula compositions based on combinations of used components were compared with values obtained experimentally. This method was applied to a coordination complex formed from two different ligands and a metal. Component-combination analysis (CCA) succeeded in reducing the number of candidates of the formula in the high mass region, which had not been accomplished by conventional methods.