Sterically hindered phenols in negative ion mobility spectrometry-mass spectrometry.

Negative corona discharge atmospheric pressure chemical ionization (APCI) was used to investigate phenols with varying numbers of tert-butyl groups using ion mobility spectrometry-mass spectrometry (IMS-MS). The main characteristic ion observed for all the phenolic compounds was the deprotonated molecule [M-H](-). 2-tert-Butylphenol showed one main mobility peak in the mass-selected mobility spectrum of the [M-H](-) ion measured under nitrogen atmosphere. When air was used as a nebulizer gas an oxygen addition ion was seen in the mass spectrum and, interestingly, this new species [M-H+O](-) had a shorter drift time than the lighter [M-H](-) ion. Other phenolic compounds primarily produced two IMS peaks in the mass-selected mobility spectra measured using the [M-H](-) ion. It was also observed that two isomeric compounds, 2,4-di-tert-butylphenol and 2,6-di-tert-butylphenol, could be separated with IMS. In addition, mobilities of various characteristic ions of 2,4,6-trinitrotoluene were measured, since this compound was previously used as a mobility standard. The possibility of using phenolic compounds as mobility standards is also discussed.

Characterization of proton-bound acetate dimers in ion mobility spectrometry.

Ionized acetates were used as model compounds to describe gas-phase behavior of oxygen containing compounds with respect to their formation of dimers in ion mobility spectrometry (IMS). The ions were created using corona discharge at atmospheric pressure and separated in a drift tube before analysis of the ions by mass spectrometry. At the ambient operational temperature and pressure used in our instrument, all acetates studied formed dimers. Using a homolog series of n-alkyl-acetates, we found that the collision cross section of a dimer was smaller than that of a monomer with the same reduced mass. Our experiments also showed that the reduced mobility of acetate dimers with different functional groups increased in the order n-alkyl