Petroleomics by Traveling Wave Ion Mobility–Mass Spectrometry Using CO<sub>2</sub>as a Drift Gas

Fasciotti, Maíra; Lalli, Priscila M.; Klitzke, Clécio F.; Corilo, Yuri; Pudenzi, Marcos A.; Pereira, Roberto; Bastos, Wagner L.; Daroda, Romeu J.; Eberlin, Marcos N.

doi:10.1021/ef401630b

Cited by 48 publications

(48 citation statements)

References 48 publications

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“…heavy fuel oil) in petroleomics [1][2][3][4][5][6][7] . Fourier transform ion cyclotron resonance mass spectrometry (FT-ICRMS) is most commonly used, due to its high resolving power [8][9][10] .…”

Section: Introductionmentioning

confidence: 99%

Investigating the Trace Polar Species Present in Diesel Using High-Resolution Mass Spectrometry and Selective Ionization Techniques

et al. 2015

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The trace polar species present in diesel were investigated by combining selective ionization with high resolution mass spectrometry. To eliminate matrix effects, the polar fraction was extracted using methanol and direct infusion with electrospray ionization and mass analysis were performed. The advantages and limitations of time-of-flight mass spectrometry and Fourier transform ion cyclotron resonance mass spectrometry for diesel analysis were discussed.Complementary information was obtained by considering both positive and negative ion mass spectra in terms of compounds that form part of the inherent fuel composition and compounds that represent fuel additives. Additionally, diluted fuels were separated by gas chromatography prior to atmospheric pressure chemical ionization and mass analysis. Results showed that a large portion of unsaturated polycyclic hydrocarbons were not detected during direct infusion experiments, indicating that these species were not extracted efficiently with methanol and/or ionized efficiently with electrospray.

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Section: Introductionmentioning

confidence: 99%

Investigating the Trace Polar Species Present in Diesel Using High-Resolution Mass Spectrometry and Selective Ionization Techniques

et al. 2015

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“…14 Previous studies in crude oil research tried to circumvent the problem by combining data from analyses using IMS-TOF MS and FT-ICR MS both after electrospray ionization. [15][16][17][18] Due to the Figure 1. Schematic view of the experimental setup regarding the source region; left and center panel show a section through the source block from a top view with mounted FAIMS unit.…”

Section: Introductionmentioning

confidence: 99%

1- and 2-Photon Ionization for Online FAIMS-FTMS Coupling Allows New Insights into the Constitution of Crude Oils

Vetere

Schräder

2015

Anal. Chem.

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Photoionization techniques (APPI and APLI) are important for the mass spectrometric analysis of crude oils, given the mainly unpolar character of the sample. Ultrahigh resolving Fourier Transform mass spectrometry (FTMS) allows to distinguish between most isobaric compounds as well as to unambiguously determine the elemental compositions of the detected ions. Nevertheless, the complexity of crude oil makes its thorough analysis a difficult task. Besides discriminating effects that can be avoided and depth of information that can be gained by simplification of the sample prior to the MS analysis the presence of numerous isomeric compounds limits the amount of information that can be gained by mass spectrometry alone. Ion mobility spectrometry (IMS) has been shown to be a valuable tool for isomer separation and has also been employed for the analysis of crude oils using IMS-TOF MS. The application of an online FAIMS-FTMS coupling after photoionization for the analysis of crude oils is shown. With this setup the complementarity of data obtained from both APPI and APLI ionization is demonstrated. Online separation and individual detection of different hydrocarbon isomers is achieved.

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“…This indicates that the degree of condensation (e.g., rings and double bonds) imposes structural boundaries, reducing the CCS of a molecule. 85, 127 In addition to the initial photo-solubilization, as the exposure of the WAF to light increases, a greater number of assignments with carbon numbers greater than 40 are observed, particularly comparing 16 and 115h. Furthermore, there is an increase in the number of oxygenated classes and a decrease in the HC class, particularly for compounds with DBE>9.…”

Section: Resultsmentioning

confidence: 99%

Analysis of Photoirradiated Water Accommodated Fractions of Crude Oils Using Tandem TIMS and FT-ICR MS

Benigni¹,

Sandoval²,

Thompson

et al. 2017

Environ. Sci. Technol.

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For the first time, trapped ion mobility spectrometry (TIMS) in tandem with Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) is applied to the analysis of the low energy water accommodated fraction (WAF) of a crude oil as a function of the exposure to light. The TIMS-FT-ICR MS analysis provided, in addition to the heteroatom series identification, new insights into the WAF isomeric complexity (e.g., [m/z; chemical formula; collision cross section] datasets) for a better evaluation of the degree of chemical and structural photo-induced transformations. Inspection of the [m/z; chemical formula; collision cross section] datasets shows that the WAF composition changes as a function of the exposure to light in the first 115 hours by initial photo-solubilization of HC components and their photo-oxidation up to O4–5 of mainly high double bond equivalence species (DBE > 9). The addition of high resolution TIMS (resolving power of 90–220) to ultrahigh resolution FT-ICR MS (resolving power over 400k) permitted the identification of a larger number of molecular components in a single analysis (e.g., over 47k using TIM-MS compared to 12k by MS alone), with instances of over 6-fold increase in the number of molecular features per nominal mass due to the WAF isomeric complexity. This work represents a stepping stone towards a better understanding of the WAF components and highlights the need for better experimental and theoretical approaches to characterize the WAF structural diversity.

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Petroleomics by Traveling Wave Ion Mobility–Mass Spectrometry Using CO₂as a Drift Gas

Cited by 48 publications

References 48 publications

Investigating the Trace Polar Species Present in Diesel Using High-Resolution Mass Spectrometry and Selective Ionization Techniques

Investigating the Trace Polar Species Present in Diesel Using High-Resolution Mass Spectrometry and Selective Ionization Techniques

1- and 2-Photon Ionization for Online FAIMS-FTMS Coupling Allows New Insights into the Constitution of Crude Oils

Analysis of Photoirradiated Water Accommodated Fractions of Crude Oils Using Tandem TIMS and FT-ICR MS

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Petroleomics by Traveling Wave Ion Mobility–Mass Spectrometry Using CO2as a Drift Gas

Cited by 48 publications

References 48 publications

Investigating the Trace Polar Species Present in Diesel Using High-Resolution Mass Spectrometry and Selective Ionization Techniques

Investigating the Trace Polar Species Present in Diesel Using High-Resolution Mass Spectrometry and Selective Ionization Techniques

1- and 2-Photon Ionization for Online FAIMS-FTMS Coupling Allows New Insights into the Constitution of Crude Oils

Analysis of Photoirradiated Water Accommodated Fractions of Crude Oils Using Tandem TIMS and FT-ICR MS

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Petroleomics by Traveling Wave Ion Mobility–Mass Spectrometry Using CO₂as a Drift Gas