Optimization and application of atmospheric pressure chemical and photoionization hydrogen-deuterium exchange mass spectrometry for speciation of oxygen-containing compounds SCIE SCOPUS

Cited 15 time in WEB OF SCIENCE Cited 15 time in Scopus
Title
Optimization and application of atmospheric pressure chemical and photoionization hydrogen-deuterium exchange mass spectrometry for speciation of oxygen-containing compounds
Author(s)
Acter, Thamina; Kim, Donghwi; Ahmed, Arif; Jin, Jang Mi; Yim, Un Hyuk; Shim, Won Joon; Kim, Young Hwan; Kim, Sunghwan
KIOST Author(s)
Kim, Dong Hwi(김동휘)Yim, Un Hyuk(임운혁)Shim, Won Joon(심원준)
Publication Year
2016-05
Abstract
This paper presents a detailed investigation of the feasibility of optimized positive and negative atmospheric pressure chemical ionization (APCI) mass spectrometry (MS) and atmospheric pressure photoionization (APPI) MS coupled to hydrogen-deuterium exchange (HDX) for structural assignment of diverse oxygen-containing compounds. The important parameters for optimization of HDX MS were characterized. The optimized techniques employed in the positive and negative modes showed satisfactory HDX product ions for the model compounds when dichloromethane and toluene were employed as a co-solvent in APCI- and APPI-HDX, respectively. The evaluation of the mass spectra obtained from 38 oxygen-containing compounds demonstrated that the extent of the HDX of the ions was structure-dependent. The combination of information provided by different ionization techniques could be used for better speciation of oxygen-containing compounds. For example, (+) APPI-HDX is sensitive to compounds with alcohol, ketone, or aldehyde substituents, while (-) APPI-HDX is sensitive to compounds with carboxylic functional groups. In addition, the compounds with alcohol can be distinguished from other compounds by the presence of exchanged peaks. The combined information was applied to study chemical compositions of degraded oils. The HDX pattern, double bond equivalent (DBE) distribution, and previously reported oxidation products were combined to predict structures of the compounds produced from oxidation of oil. Overall, this study shows that APCI- and APPI-HDX MS are useful experimental techniques that can be applied for the structural analysis of oxygen-containing compounds.
ISSN
1618-2642
URI
https://sciwatch.kiost.ac.kr/handle/2020.kiost/2200
DOI
10.1007/s00216-016-9399-x
Bibliographic Citation
ANALYTICAL AND BIOANALYTICAL CHEMISTRY, v.408, no.12, pp.3281 - 3293, 2016
Publisher
SPRINGER HEIDELBERG
Keywords
Hydrogen/deuterium exchange; Mass spectrometry; Atmospheric-pressure chemical ionization; Atmospheric-pressure photoionization; Signal-to-noise ratio
Type
Article
Language
English
Document Type
Article
Publisher
SPRINGER HEIDELBERG
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