2015
DOI: 10.1007/s13361-015-1116-z
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A Functional Group Approach for Prediction of APPI Response of Organic Synthetic Targets

Abstract: Abstract. Atmospheric pressure photoionization (APPI) is a technique of choice for ionization of non-polar molecules in mass spectrometry (MS). Reported APPI-based studies tend to focus on a selected compound class, which may contain a variety of functional groups. These studies demonstrate that APPI response frequently differs substantially, indicating a certain dependence on the functional group present. Although this dependence could be employed for APPI response prediction, its systematic use is currently … Show more

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Cited by 5 publications
(3 citation statements)
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References 86 publications
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“…In order to improve the annotation confidence, SFC was coupled to a high-resolution mass spectrometer for the determination of molecular formula. An atmospheric pressure photoionization source (APPI) was chosen as it is well suited for the ionization of apolar compounds [27][28][29][30]. By extracting an ion chromatogram (Figure 2) at theoretical m/z values for radical cation or protonated limonene, pinenes, and citral stereoisomers, it is possible to correlate ion and UV signals to validate the presence of the different chemical families.…”
Section: Resultsmentioning
confidence: 99%
“…In order to improve the annotation confidence, SFC was coupled to a high-resolution mass spectrometer for the determination of molecular formula. An atmospheric pressure photoionization source (APPI) was chosen as it is well suited for the ionization of apolar compounds [27][28][29][30]. By extracting an ion chromatogram (Figure 2) at theoretical m/z values for radical cation or protonated limonene, pinenes, and citral stereoisomers, it is possible to correlate ion and UV signals to validate the presence of the different chemical families.…”
Section: Resultsmentioning
confidence: 99%
“…All four analytes were detected as molecular radical cations M +• characteristic for [1 + 1] REMPI . The corresponding protonated species [M + H] + , commonly observed in atmospheric pressure photoionization, are absent. Moreover, proton abstraction-generated species, [M – H] + , can be detected.…”
Section: Resultsmentioning
confidence: 99%
“…As shown in Figure , bentonite and kaolinite had a wide negative ζ potential in almost the whole range of pH, which implies that compounds, such as pyridines and quinolines, can be preferencially adsorbed from the crude oil. Recently reported publications report that both types of N (pyridines and pyrroles) can be ionized by APPI; thus, polyaromatic molecules can form radical cations that will be stabilized, even if there is no basic N (pyrroles) . However, special analytical settings, such as hydrogen/deuterium-exchange mass spectrometry (HDX MS), are needed to study the functional group distribution of nitrogen-containing compounds in a complex mixture, such as crude oil. , Therefore, on the basis of the specificity of ESI to detect/speciate basic and neutral N-containing compounds as well as carboxylic acids, , further analyses, including (−) ESI FT-ICR MS, are under development and will be reported in future works.…”
Section: Resultsmentioning
confidence: 99%