Atmospheric pressure chemical ionization Fourier transform ion cyclotron resonance mass spectrometry for complex thiophenic mixture analysis

Hourani, Nadim; Andersson, Jan T.; Möller, Isabelle; Amad, Ma’an; Witt, Matthias; Sarathy, S. Mani

doi:10.1002/rcm.6707

Cited by 22 publications

(26 citation statements)

References 33 publications

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Section: Use Of the In‐apci/appi Source Isotope Exchangementioning

confidence: 99%

“…Because high‐resolution mass spectrometry is very useful to analyze the crude oil samples, the combination of high‐resolution mass spectrometry with H/D‐exchange emerged as an analytical technique that can be helpful to provide structural information on individual compound. In the previous work, the speciation of nitrogenous compounds in crude oil sample by APCI HDX in combination with high resolution MS was reported .…”

Section: Use Of the In‐apci/appi Source Isotope Exchangementioning

confidence: 99%

“…For modern MS techniques, atmospheric pressure photo ionization (APPI) and atmospheric pressure chemical ionization (APCI) are another important ionization techniques that have been used to study a wide range of compounds. [289][290][291][292][293][294][295][296][297] APPI and APCI would be expected as effective ionization methods for HDX. Thus, the use of HDX coupled with APCI MS has been reported to investigate conventional "exchangeable" protons of amino groups in pharmaceuticals 130 and monosaccharides.…”

Section: Application Of Apci/appi Hdx Ms For Petroleum Studymentioning

confidence: 99%

“…Recently, the combination of atmospheric pressure ionization techniques have witnessed the development of high-resolution mass spectrometry for structural identification of compounds. 294,[306][307][308][309] Because high-resolution mass spectrometry is very useful to analyze the crude oil samples, 296,[310][311][312][313][314][315][316] the combination of highresolution mass spectrometry with H/D-exchange emerged as an analytical technique that can be helpful to provide structural information on individual compound. In the previous work, the speciation of nitrogenous compounds in crude oil sample by APCI HDX in combination with high resolution MS was reported.…”

Section: Development Software To Process Hdx-ms Datamentioning

confidence: 99%

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Hydrogen/deuterium exchange in mass spectrometry

Kostyukevich

Acter

Zherebker

et al. 2018

Mass Spectrometry Reviews

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The isotopic exchange approach is in use since the first observation of such reactions in 1933 by Lewis. This approach allows the investigation of the pathways of chemical and biochemical reactions, determination of structure, composition, and conformation of molecules. Mass spectrometry has now become one of the most important analytical tools for the monitoring of the isotopic exchange reactions. Investigation of conformational dynamics of proteins, quantitative measurements, obtaining chemical, and structural information about individual compounds of the complex natural mixtures are mainly based on the use of isotope exchange in combination with high resolution mass spectrometry. The most important reaction is the Hydrogen/Deuterium exchange, which is mainly performed in the solution. Recently we have developed the approach allowing performing of the Hydrogen/Deuterium reaction on-line directly in the ionization source under atmospheric pressure. Such approach simplifies the sample preparation and can accelerate the exchange reaction so that certain hydrogens that are considered as non-labile will also participate in the exchange. The use of in-ionization source H/D exchange in modern mass spectrometry for structural elucidation of molecules serves as the basic theme in this review. We will focus on the mechanisms of the isotopic exchange reactions and on the application of in-ESI, in-APCI, and in-APPI source Hydrogen/Deuterium exchange for the investigation of petroleum, natural organic matter, oligosaccharides, and proteins including protein-protein complexes. The simple scenario for adaptation of H/D exchange reactions into mass spectrometric method is also highlighted along with a couple of examples collected from previous studies.

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Section: Use Of the In‐apci/appi Source Isotope Exchangementioning

confidence: 99%

Section: Use Of the In‐apci/appi Source Isotope Exchangementioning

confidence: 99%

Section: Application Of Apci/appi Hdx Ms For Petroleum Studymentioning

confidence: 99%

Section: Development Software To Process Hdx-ms Datamentioning

confidence: 99%

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Hydrogen/deuterium exchange in mass spectrometry

Kostyukevich

Acter

Zherebker

et al. 2018

Mass Spectrometry Reviews

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show abstract

“…Atmospheric pressure chemical ionization (APCI) is another important ionization source for modern MS techniques, and has been used to study a wide range of compounds [32][33][34][35][36][37]. As HDX MS with CI is effective, it is reasonable to expect that APCI would also be an effective ionization method for HDX.…”

Section: Introductionmentioning

confidence: 99%

Optimization and Application of APCI Hydrogen–Deuterium Exchange Mass Spectrometry (HDX MS) for the Speciation of Nitrogen Compounds

Acter

Cho

Kim

et al. 2015

J. Am. Soc. Mass Spectrom.

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Abstract. A systematic study was performed to investigate the utility of atmospheric pressure chemical ionization hydrogen-deuterium exchange mass spectrometry (APCI HDX MS) to identify the structures of nitrogen-containing aromatic compounds. First, experiments were performed to determine the optimized experimental conditions, with dichloromethane and CH 3 OD found to be good cosolvents for APCI HDX. In addition, a positive correlation between the heated capillary temperature and the observed HDX signal was observed, and it was suggested that the HDX reaction occurred when molecules were contained in the solvent cluster. Second, 20 standard nitrogen-containing compounds were analyzed to investigate whether speciation could be determined based on the different types of ions produced from nitrogencontaining compounds with various functional groups. The number of exchanges occurring within the compounds correlated well with the number of active hydrogen atoms attached to nitrogen, and it was confirmed that APCI HDX MS could be used to determine speciation. The results obtained by APCI HDX MS were combined with the subsequent investigation of the double bond equivalence distribution and indicated that resins of shale oil extract contained mostly pyridine type nitrogen compounds. This study confirmed that APCI HDX MS can be added to previously reported chemical ionization, electrospray ionization, and atmospheric pressure photo ionization-based HDX methods, which can be used for structural elucidation by mass spectrometry.

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Quadrupole detection FT‐ICR mass spectrometry offers deep profiling of residue oil: A systematic comparison of 2ω 7 Tesla versus 15 Tesla instruments

et al. 2020

Analytical Science Advances

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Mass resolving power is one of the key features of Fourier transform ion cyclotron resonance mass spectrometry (FT‐ICR MS), which enables the molecular characterization of complex mixtures. Quadrupole (2ω) detection provides a significant step forward in FT‐ICR MS performance, as it doubles the resolving power for a given signal acquisition time. Whether this 2ω detection technique truly substitutes for a higher magnetic field remains unknown however. In this study, a residue oil sample was characterized using both a 2ω 7 Tesla FT‐ICR and a 15 Tesla FT‐ICR instrument, and analytical figures of merit were systematically compared. It was shown that 2ω 7T FT‐ICR MS provided comparable performance in the deep profiling of the complex oil sample, with better signal intensities and reproducibilities for absorption‐mode processing. The 15T FT‐ICR MS gave more precise measurements with better estimates of the sample's elemental compositions. To the best of our knowledge, this is the first published study, which thoroughly compared the performance of 2ω detection on a low magnetic field instrument with that of a high magnetic field FT‐ICR‐MS.

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Atmospheric pressure chemical ionization Fourier transform ion cyclotron resonance mass spectrometry for complex thiophenic mixture analysis

Abstract: This study provides an established APCI-FTICR MS method for the analysis of complex PASHs. PASHs were detected without using any derivatization and without fragmentation. The method can be used for the analysis of S-containing crude oil samples.

Cited by 22 publications

References 33 publications

Hydrogen/deuterium exchange in mass spectrometry

Hydrogen/deuterium exchange in mass spectrometry

Optimization and Application of APCI Hydrogen–Deuterium Exchange Mass Spectrometry (HDX MS) for the Speciation of Nitrogen Compounds

Quadrupole detection FT‐ICR mass spectrometry offers deep profiling of residue oil: A systematic comparison of 2ω 7 Tesla versus 15 Tesla instruments

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