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Title: Atmospheric pressure ionization of chlorinated ethanes in ion mobility spectrometry and mass spectrometry

This study investigates the APCI mechanisms associated with chlorinated ethanes in an attempt to define conditions under which unique pseudo-molecular adducts, in addition to chloride ion, can be produced for analytical measurements using IMS and MS. The ionization chemistry of chlorinated compounds typically leads to the detection of only the halide ions. Using molecular modeling, which provides insights into the ion formation and relative binding energies, predictions for the formation of pseudo-molecular adducts are postulated. Predicted structures of the chloride ion with multiple hydrogens on the ethane backbone was supported by the observation of specific pseudo-molecular adducts in IMS and MS spectra. With the proper instrumental conditions, such as short reaction times and low temp.
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Publication Date:
OSTI Identifier:
Report Number(s):
Journal ID: ISSN 1435-6163
DOE Contract Number:
Resource Type:
Journal Article
Resource Relation:
Journal Name: International Journal for Ion Mobility Spectrometry; Journal Volume: 18; Journal Issue: 1
Research Org:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org:
Country of Publication:
United States
Atmospheric Pressure Ionization; Chloride Adduct; Molecular Ion; Chlorinated Ethanes