Oral Sessions (Day1, Day2, Day3)
Poster Presentations
- Day 3, May 21（Fri.） Room P2 (Zoom)
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3P-62 PDF
A method for estimating effective temperature of analytes for Traveling Wave Ion Mobility Spectrometry
High resolution mass spectrometry is a promising technique to determine the molecular formula of an analyte. On the other hand, an ambiguity in the identification of a chemical structure is not negligible due to its limited-ability to differentiate structural isomers. Therefore, we attempted to overcome this difficulty focusing on the analysis of the momentum transfer cross section (MTCS) of an analyte. MTCS is experimentally determined by ion mobility spectroscopy (IMS) and theoretically calculated by the trajectory method. We hypothesized that the accordance of experimentally and theoretically determined MTCS can be used as an indication of the rightfulness of an elucidated structure. An experiment to validate our hypothesis was performed using two model compounds (ortho/para-tolyltetrazolium red). The MTCSs of these two compounds in a drift cell were calculated from the trajectory method. Further calculation using the obtained average speeds were conducted to determine their effective temperature. As a result of these calculations, the magnitude correlations between the experimental and theoretical MTCS of the two compounds were in accordance; the developed method can be applied to the structural elucidation of unknown compounds.