Highly oxygenated organic molecule cluster decomposition in atmospheric pressure interface time-of-flight mass spectrometers

Abstract

Identification of atmospheric molecular clusters and measurement of their concentrations by atmospheric pressure interface time-of-flight (APi-TOF) mass spectrometers may be affected by systematic error due to possible decomposition of clusters inside the instrument. Here, we perform numerical simulations of decomposition in an APi-TOF mass spectrometers and formation in the atmosphere of a set of clusters which involve a representative kind of highly oxygenated organic molecule (HOM), with the molecular formula C10H16O8. This elemental composition corresponds to one of the most common mass peaks observed in experiments on ozone-initiated autoxidation of α-pinene. Our results show that decomposition is highly unlikely for the considered clusters, provided their bonding energy is large enough to allow formation in the atmosphere in the first place.