Carbon disulfide reagent allows the characterization of nonpolar analytes by atmospheric pressure chemical ionization mass spectrometry

Owen, Benjamin C.; Gao, Jinshan; Borton, David J.; Amundson, Lucas M.; Archibold, Enada; Tan, Xiaoli; Azyat, Khalid; Tykwinski, Rik R.; Gray, Murray R.; Kenttämaa, Hilkka I.

doi:10.1002/rcm.5063

Cited by 35 publications

(51 citation statements)

References 14 publications

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“…25,[46][47] Based on the measured mass spectra, the apparent molecular weight distributions (MWD) were determined for six petroleum asphaltene samples originating from Bohai, Maya, Claire, Surmont, Montana and McKittrick. All of the studied asphaltenes from the American continent, Europe and China have similar apparent MWD, ranging from 200 up to 1400 Da.…”

Section: Resultsmentioning

confidence: 99%

Structural Comparison of Asphaltenes of Different Origins Using Multi-stage Tandem Mass Spectrometry

et al. 2015

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In this work, six petroleum asphaltene samples of different geographical origins were studied using atmospheric pressure chemical ionization (APCI) in positive ion mode in a linear quadrupole ion trap mass spectrometer (LQIT). APCI doped with carbon disulfide reagent was selected as the ionization method as it has been previously demonstrated to generate stable molecular ions with no fragmentation for asphaltene molecules. The mass spectra measured using this approach revealed the apparent molecular weights (MWs) of the molecules in the asphaltene samples. The results show that petroleum asphaltenes from the American continent, Europe and China have similar apparent molecular weight distributions, ranging from 200 up to 1450 Da, with slightly different apparent average MWs ranging from 570 to 700 Da. Further, molecular ions with eight randomly selected mass-to-charge ratios (m/z) ranging from m/z 500 up to m/z 808 were isolated for each asphaltene sample and subjected to collisionally activated dissociation (CAD) at the same collision energy to examine their structures. The CAD mass spectra (MS 2 experiment) provided information on the maximum total number of carbons in the alkyl chains and the smallest possible size of the aromatic cores in the ionized molecules. Additionally, MS 3 experiments were performed to investigate the fragmentation patterns of the fragment ions generated in the MS 2 experiments. The results obtained support the island structural model for these asphaltenes. Moreover, molecules of greater MWs are shown to have more carbons in alkyl chains (ranging from 17 to 41) but the minimum core size is fairly constant.

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Section: Resultsmentioning

confidence: 99%

Structural Comparison of Asphaltenes of Different Origins Using Multi-stage Tandem Mass Spectrometry

et al. 2015

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“…Unfortunately, fragment ions are commonly formed. The same is true when using CS 2 as an APCI reagent to form molecular ions for saturated hydrocarbons [27,28] due to the low fragmentation threshold energies of their molecular ions. Recently, helium ionization mass spectrometry was implemented on a modified atmospheric-pressure ion source designed for electrospray ionization for ionization of aliphatic hydrocarbons [29].…”

Section: Introductionmentioning

confidence: 92%

HPLC/APCI Mass Spectrometry of Saturated and Unsaturated Hydrocarbons by Using Hydrocarbon Solvents as the APCI Reagent and HPLC Mobile Phase

Gao

Owen

Borton

et al. 2012

J. Am. Soc. Mass Spectrom.

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Saturated and unsaturated, linear, branched, and cyclic hydrocarbons, as well as polyaromatic and heteroaromatic hydrocarbons, were successfully ionized by atmospheric pressure chemical ionization (APCI) using small hydrocarbons as reagents in a linear quadrupole ion trap (LQIT) mass spectrometer. Pentane was proved to be the best reagent among the hydrocarbon reagents studied. This ionization method generated different types of abundant ions (i.e., [M + H] , with little or no fragmentation. The radical cations can be differentiated from the even-electron ions by using dimethyl disulfide, thus facilitating molecular weight (MW) determination. While some steroids and lignin monomer model compounds, such as androsterone and 4-hydroxy-3-methoxybenzaldehyde, also formed abundant M +• and [M+H] + ions, this was not true for all of them. Analysis of two known mixtures as well as a base oil sample demonstrated that each component of the known mixtures could be observed and that a correct MW distribution was obtained for the base oil. The feasibility of using this ionization method on the chromatographic time scale was demonstrated by using high-performance liquid chromatography (HPLC) with hexane as the mobile phase (and APCI reagent) to separate an artificial mixture prior to mass spectrometric analysis.

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“…Porphyrinoids are characterized by a great variety of structure types; hence, it is not possible to analyze them by using only one ionization method. There are many examples in the literature regarding the application of various MS ionization techniques [EI, [2,3] chemical ionization (CI), [4,5] electrospray ionization (ESI), [6][7][8][9][10][11] atmospheric pressure CI (APCI), [12][13][14] atmospheric pressure photoionization (APPI), [15][16][17][18] fast atom bombardment (FAB), [19][20][21] liquid secondary ion MS, [22,23] field desorption, [24][25][26] matrix-assisted laser desorption/ionization (MALDI) [19,27,28] ] with reference to this class of compounds. It is also possible to find examples of comparison of ionization methods in qualitative terms, but the number of such publications is very limited.…”

Section: Introductionmentioning

confidence: 99%

Comparison of the sensitivity of mass spectrometry atmospheric pressure ionization techniques in the analysis of porphyrinoids

et al. 2013

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The porphyrinoids chemistry is greatly dependent on the data obtained in mass spectrometry. For this reason, it is essential to determine the range of applicability of mass spectrometry ionization methods. In this study, the sensitivity of three different atmospheric pressure ionization techniques, electrospray ionization, atmospheric pressure chemical ionization and atmospheric pressure photoionization, was tested for several porphyrinods and their metallocomplexes. Electrospray ionization method was shown to be the best ionization technique because of its high sensitivity for derivatives of cyanocobalamin, free-base corroles and porphyrins. In the case of metallocorroles and metalloporphyrins, atmospheric pressure photoionization with dopant proved to be the most sensitive ionization method. It was also shown that for relatively acidic compounds, particularly for corroles, the negative ion mode provides better sensitivity than the positive ion mode. The results supply a lot of relevant information on the methodology of porphyrinoids analysis carried out by mass spectrometry. The information can be useful in designing future MS or liquid chromatography-MS experiments.

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Carbon disulfide reagent allows the characterization of nonpolar analytes by atmospheric pressure chemical ionization mass spectrometry

Cited by 35 publications

References 14 publications

Structural Comparison of Asphaltenes of Different Origins Using Multi-stage Tandem Mass Spectrometry

Structural Comparison of Asphaltenes of Different Origins Using Multi-stage Tandem Mass Spectrometry

HPLC/APCI Mass Spectrometry of Saturated and Unsaturated Hydrocarbons by Using Hydrocarbon Solvents as the APCI Reagent and HPLC Mobile Phase

Comparison of the sensitivity of mass spectrometry atmospheric pressure ionization techniques in the analysis of porphyrinoids

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