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

Abstract

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.

Authors:
; ;
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1244806
Report Number(s):
PNNL-SA-109956
Journal ID: ISSN 1435-6163
DOE Contract Number:  
AC05-76RL01830
Resource Type:
Journal Article
Journal Name:
International Journal for Ion Mobility Spectrometry
Additional Journal Information:
Journal Volume: 18; Journal Issue: 1; Journal ID: ISSN 1435-6163
Country of Publication:
United States
Language:
English
Subject:
Atmospheric Pressure Ionization; Chloride Adduct; Molecular Ion; Chlorinated Ethanes

Citation Formats

Ewing, Robert G., Atkinson, David A., and Benson, Michael T. Atmospheric pressure ionization of chlorinated ethanes in ion mobility spectrometry and mass spectrometry. United States: N. p., 2015. Web. doi:10.1007/s12127-015-0174-z.
Ewing, Robert G., Atkinson, David A., & Benson, Michael T. Atmospheric pressure ionization of chlorinated ethanes in ion mobility spectrometry and mass spectrometry. United States. https://doi.org/10.1007/s12127-015-0174-z
Ewing, Robert G., Atkinson, David A., and Benson, Michael T. 2015. "Atmospheric pressure ionization of chlorinated ethanes in ion mobility spectrometry and mass spectrometry". United States. https://doi.org/10.1007/s12127-015-0174-z.
@article{osti_1244806,
title = {Atmospheric pressure ionization of chlorinated ethanes in ion mobility spectrometry and mass spectrometry},
author = {Ewing, Robert G. and Atkinson, David A. and Benson, Michael T.},
abstractNote = {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.},
doi = {10.1007/s12127-015-0174-z},
url = {https://www.osti.gov/biblio/1244806}, journal = {International Journal for Ion Mobility Spectrometry},
issn = {1435-6163},
number = 1,
volume = 18,
place = {United States},
year = {Sat May 16 00:00:00 EDT 2015},
month = {Sat May 16 00:00:00 EDT 2015}
}