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  • Title: Minimum proton affinity for efficient ionization with atmospheric pressure desorption/ionization on silicon mass spectrometry.
    Author: Ostman P, Pakarinen JM, Vainiotalo P, Franssila S, Kostiainen R, Kotiaho T.
    Journal: Rapid Commun Mass Spectrom; 2006; 20(24):3669-73. PubMed ID: 17115377.
    Abstract:
    We performed a systematic study using a set of compounds with different proton affinities (PAs) on the ionization in atmospheric pressure desorption/ionization on silicon mass spectrometry (AP-DIOS-MS). The compounds studied included various aromatic molecules of different sizes. The PAs of these compounds were calculated using ab initio and hybrid density functional theory calculations at the B3LYP/6-31G(d) level of theory. We observed that only compounds with relatively high PAs above a threshold value of 920-950 kJ/mol were efficiently ionized as protonated molecules under AP-DIOS conditions and produced very clean mass spectra.
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