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

Vetere, Alessandro; Schräder, Wolfgang

doi:10.1021/acs.analchem.5b01969

Cited by 18 publications

(21 citation statements)

References 29 publications

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“…Of course neither compound class nor structural information is accessible by simple mass spectrometry alone. For more detailed information chromatographic and/or ion mobility separation combined with different ionization techniques and preferably MS n experiments should be used …”

Section: Figurementioning

confidence: 99%

Mass Spectrometric Coverage of Complex Mixtures: Exploring the Carbon Space of Crude Oil

Vetere

Schräder

2017

ChemistrySelect

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Mass spectrometry is a powerful tool to investigate complex reactions in complex matrices such as crude oils. However, certain requirements have to be met. Apart from a good instrument sensitivity and mass measurement accuracy, especially a certain minimum mass resolving power of above 500,000 at m/z 1000 needs to be reached to resolve critical peak pairs. If the desired parameters are met, a good coverage of the full compositional space or “carbon space” can be achieved to allow a comprehensive picture of the sample at hand. Here, the performance of a newly introduced High-field Fourier Transform Orbitrap setup with nominal resolving power of 960,000 at m/z 400 is tested against the demands

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Section: Figurementioning

confidence: 99%

Mass Spectrometric Coverage of Complex Mixtures: Exploring the Carbon Space of Crude Oil

Vetere

Schräder

2017

ChemistrySelect

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“…The main challenge here regarding sample analysis is the presence of various isomeric compounds in crude oil, which contribute to the complex nature of it. To address this problem, an effective chromatographic separation is needed before the MS analysis . The oldest and the most widely used hyphenated method is the coupling of gas chromatography to mass spectrometry (GC/MS) .…”

Section: Introductionmentioning

confidence: 99%

“…To address this problem, an effective chromatographic separation is needed before the MS analysis. [11][12][13][14][15][16] The oldest and the most widely used hyphenated method is the coupling of gas chromatography to mass spectrometry (GC/MS). [17][18][19][20][21] This technique has been successfully used for the characterization of volatile and semivolatile compounds in crude oil.…”

Section: Introductionmentioning

confidence: 99%

High‐resolution GC/MS studies of a light crude oil fraction

Kondyli

Schräder

2018

J Mass Spectrom

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The continuous development in analytical instrumentation has brought the newly developed Orbitrap‐based gas chromatography / mass spectrometry (GC/MS) instrument into the forefront for the analysis of complex mixtures such as crude oil. Traditional instrumentation usually requires a choice to be made between mass resolving power or an efficient chromatographic separation, which ideally enables the distinction of structural isomers that is not possible by mass spectrometry alone. Now, these features can be combined, thus enabling a deeper understanding of the constituents of volatile samples on a molecular level. Although electron ionization is the most popular ionization method employed in GC/MS analysis, the need for softer ionization methods has led to the utilization of atmospheric pressure ionization sources. The last arrival to this family is the atmospheric pressure photoionization (APPI), which was originally developed for liquid chromatography / mass spectrometry (LC/MS). With a newly developed commercial GC‐APPI interface, it is possible to extend the characterization of unknown compounds. Here, first results about the capabilities of the GC/MS instrument under high or low energy EI or APPI are reported on a volatile gas condensate. The use of different ionization energies helps matching the low abundant molecular ions to the structurally important fragment ions. A broad range of compounds from polar to medium polar were successfully detected and complementary information regarding the analyte was obtained.

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“…48, 65 Alternatively, other post-ionization, gas-phase separations have been proven to be a better match for FT-ICR MS analysis. 70–79 In particular, ion mobility spectrometry (IMS) presents many advantages for the analysis of complex mixtures, providing orthogonal separation to FT-ICR MS that is based on the tri-dimensional structure of the molecule. 80–82 Initial work showed the potential of IMS-MS analysis for the characterization of complex hydrocarbon mixtures using complementary IMS-MS and FT-ICR MS measurements (e.g., IMS-TOF MS and FT-ICR MS of the same sample).…”

Section: Introductionmentioning

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

Cited by 18 publications

References 29 publications

Mass Spectrometric Coverage of Complex Mixtures: Exploring the Carbon Space of Crude Oil

Mass Spectrometric Coverage of Complex Mixtures: Exploring the Carbon Space of Crude Oil

High‐resolution GC/MS studies of a light crude oil fraction

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

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