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Table 1 Kinetic reaction constants and calibration results for different compounds according to PTR-MS measurements.

From: Noninvasive detection of lung cancer by analysis of exhaled breath

Compound m/z kinetic rate constant (taken from reference [55]) calibration factor*)
benzene 79 1.97·10-9 cm3 sec-1 0.95
isoprene 69 2.0·10-9 cm3 sec-1 2.26
acetone 59 3.9·10-9 cm3 sec-1 1.21
methanol 33 2.7·10-9 cm3 sec-1 0.69
acetonitrile 42 4.5·10-9 cm3 sec-1 1.24
  1. *) The "calibration factor" is the factor used to correct concentrations which are initially determined using the kinetic rate constants as taken from reference [55]. The large "calibration factor" for isoprene is due to fragmentation of protonated isoprene (m/z 69) towards m/z 41.