Identification
of Isobars and Isomers in Cigarette
Sidestream Smoke in Real Time by Synchrotron Radiation Photoionization
Mass Spectrometry and Multiple Linear Regression
posted on 2021-04-02, 15:36authored byYonghua Hu, Chengyuan Liu, Yingbo Xu, Jiuzhong Yang, Yang Pan
Direct analysis of chemical components
in fresh cigarette smoke
in real time is a challenging task. In this work, by using a novel
continuous cigarette-pushing and smoke-introducing setup combined
with synchrotron radiation photoionization mass spectrometry (SR-PIMS),
the photoionization mass spectra of fresh gaseous cigarette sidestream
smoke (SSS) from the combustion of solid tobacco could be recorded
in real time, and the photoionization efficiency (PIE) curves of each
mass peak could be obtained for the first time. Hence, lots of well-known
chemical components and even isomers could be identified by their
discriminated onsets or PIE curve simulation. Moreover, diimine, 2H-azirine, and sulfur monoxide, which have never been reported
in cigarette smoke, were observed in cigarette SSS, and even two intermediates,
ethenol and propen-2-ol, anticipated to exist were actually observed
and distinguished. To increase the qualification accuracy, a new simulation
method based on multiple linear regression (MLR) was developed and
applied for the PIE curve simulation, where qualification mistakes
caused by subjective judgements could be eliminated as far as possible.