1. Minimum proton affinity for efficient ionization with atmospheric pressure desorption/ionization on silicon mass spectrometry
- Author
-
Pirjo Vainiotalo, Tapio Kotiaho, Jaana M. H. Pakarinen, Pekka Östman, Sami Franssila, and Risto Kostiainen
- Subjects
Models, Molecular ,Silicon ,Spectrometry, Mass, Electrospray Ionization ,Desorption/ionization on silicon ,Analytical chemistry ,Thermal ionization ,Atmospheric-pressure chemical ionization ,010402 general chemistry ,Mass spectrometry ,01 natural sciences ,Analytical Chemistry ,Atmospheric-pressure laser ionization ,Computer Simulation ,Spectroscopy ,Ambient ionization ,Ions ,Chemical ionization ,Chemistry ,010401 analytical chemistry ,Organic Chemistry ,Ion source ,0104 chemical sciences ,Atmospheric Pressure ,Models, Chemical ,Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization ,Adsorption ,Protons - 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.
- Published
- 2006
- Full Text
- View/download PDF