Calculation of the sensitivity of proton-transfer-reaction mass spectrometry (PTR-MS) for organic trace gases using molecular properties
Proton-transfer-reaction mass spectrometry (PTR-MS) allows the detection of a large
number of trace gases in air through proton-transfer reaction with H 3 O+ reagent ions and
detection by a mass spectrometer. Measurement sensitivities can be experimentally
determined using calibration gases or calculated using the rate constant for the proton-
transfer reaction, but rate constants have only been measured for a subset of compounds.
Numerous theoretical approaches that describe the ion-molecule collision processes have …
number of trace gases in air through proton-transfer reaction with H 3 O+ reagent ions and
detection by a mass spectrometer. Measurement sensitivities can be experimentally
determined using calibration gases or calculated using the rate constant for the proton-
transfer reaction, but rate constants have only been measured for a subset of compounds.
Numerous theoretical approaches that describe the ion-molecule collision processes have …
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