Universal biomarker analysis using GC×GC with dual FID and ToF-MS (EI/FI) detection

Walters, Clifford C.; Wang, Frank C.; Higgins, Meytal B.; Madincea, Marlene E.

doi:10.1016/j.orggeochem.2017.10.003

Cited by 20 publications

(11 citation statements)

References 24 publications

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“…Here, we expanded our metabolomics analysis to human serum, and compared two orthogonal detection techniques attached to a GC, a MS and a FID detector. Quantitation using a FID is simple, as FID is a mass-sensitive detector that provides a nearly equal molar response to the number of carbon atoms in a hydrocarbon where the detector is fast, and response is linear over a wide dynamic range (~ 10 7 to 10 8 ) (28). A comparison of the FID-chromatogram and total ion chromatogram (TIC) from MS analysis are provided ( Figure 1 ).…”

Section: Resultsmentioning

confidence: 99%

Comparison of a GC-Orbitrap-MS with Parallel GC-FID Capabilities for Metabolomics of Human Serum

Misra

Bassey

Olivier

2019

Preprint

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Gas chromatography mass spectrometry (GC-MS) platforms for use in high throughput and discovery metabolomics have heavily relied on time of flight (ToF), and low resolution quadrupole and ion trap mass spectrometers and are typically run in electron ionization (EI) modes for matching spectral libraries. Traditionally, detectors such as flame ionization detection (FID), have also helped in identification and quantification of compounds in complex samples for diverse clinical applications, i.e., fatty acids. We probed if combination of FID in line with a high-resolution instrument like a GC-Orbitrap-MS may confer advantages over traditional mass spectrometry using EI.We used a commercially available human serum sample to enhance the chemical space of serum using an advanced high resolution mass spectrometry (HR-MS) platform (QExactive Orbitrap-MS) with an FID feature for confident metabolite identification to assess the suitability of the platform for routine clinical metabolomics research. Using the EI mode, we quantified 294 metabolites in human serum using GC-Orbitrap-MS. These metabolites belonged to 89 biological pathways in KEGG. Following a sample split, using an in-line FID analysis, 1117 peaks were quantified. Moreover, representative peaks from FID and their corresponding MS counterparts showed a good correspondence when compared for relative abundance.Our study highlights the benefits of the use of a higher mass accuracy instrument for untargeted GC-MS-based metabolomics not only with EI mode but also orthogonal detection method such as FID, for robust and orthogonal quantification, in future studies addressing complex biological samples in clinical set ups.

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Section: Resultsmentioning

confidence: 99%

Comparison of a GC-Orbitrap-MS with Parallel GC-FID Capabilities for Metabolomics of Human Serum

Misra

Bassey

Olivier

2019

Preprint

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“…Their presence can be used for oil-source rock correlations for origin determination [16,19]. Cyclic terpanes, including the tri-, tetra-and penta-series, were tentatively identified with m/z 191, noted as the white box in Figure 4 [3,16]. As a late eluting group in the 1 D and an early eluting group in the 2 D, the compounds have a relatively non-polar nature.…”

Section: Biomarker Analysismentioning

confidence: 99%

“…As compounds of similar nature and chemical composition elute in a contour plot, they appear in similar regions, allowing group type identification. Total ion and extracted ion chromatograms were analyzed to perform a broad group type analysis using m/z 85 (paraffins), m/z 177 and 191 (demethylated terpanes and cyclic terpanes, respectively), m/z 191 (hopanes), and m/z 217 (alkylated steranes) [3,16,17]. Despite the same characteristic m/z, terpanes and hopanes were differentiated from one another based on their position within the 2 D space.…”

Section: Group-type Identificationmentioning

confidence: 99%

“…These compounds were of relatively high abundance within the chromatogram and easy to identify visually since they were not at trace levels. Typically, these compounds are at low abundance and difficult to detect due to coelutions with other steranes and methyl steranes [16]. Their presence can be used for oil-source rock correlations for origin determination [16,19].…”

Section: Biomarker Analysismentioning

confidence: 99%

“…Typically, these compounds are at low abundance and difficult to detect due to coelutions with other steranes and methyl steranes [16]. Their presence can be used for oil-source rock correlations for origin determination [16,19]. Cyclic terpanes, including the tri-, tetra-and penta-series, were tentatively identified with m/z 191, noted as the white box in Figure 4 [3,16].…”

Section: Biomarker Analysismentioning

confidence: 99%

See 2 more Smart Citations

Evaluation of the Performance of Cryogen-Free Thermal Modulation-Based Comprehensive Two-Dimensional Gas Chromatography-Time-of-Flight Mass Spectrometry (GC×GC-TOFMS) for the Qualitative Analysis of a Complex Bitumen Sample

2020

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Historically, one-dimensional gas chromatography combined with mass spectrometry (GC/MS) has been employed in the analysis of petrochemical samples such as diesel, crude oil and bitumen. With increasingly complex samples, obtaining detailed information can be difficult with this method due to the large number of coelutions. By implementing comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry (GC×GC-TOFMS), the limitations of GC/MS can be overcome, due to the ability of this method to separate mixtures using two different separation mechanisms and obtain full mass spectra. Furthermore, this enables an investigation of biomarkers, compounds which aid in the identification of geological and environmental processes, potentially differentiating crude oil samples. Cryogenic-based thermal modulators are typically used for this application due to their superior focusing effect; however, some platforms require expensive cryogenic consumables. The solid-state modulator (SSM), a cryogen-free thermal platform, was employed for the first time for the group and biomarker analysis of Alberta oil sands bitumen. Evaluation of the SSM performance was based on published literature data on bitumen analysis. Extracted ion chromatograms (EIC) and molecular ion peaks were used for the confirmation of the groups’ and individual’s analytes. Identification of the characteristic biomarkers responsible for determining thermal maturity, source rock or oil origin was achieved. These results indicate the successful analysis of bitumen by consumable-free, solid-state modulation-based GC×GC-TOFMS.

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2.4 Analysis of Heavy Crude Oil and Its Refined Products by Various Chromatographic and Mass Spectrometry Methods

Борисов

Maximov

Kanat’eva

et al. 2023

Catalytic In‐Situ Upgrading of Heavy and Extra‐Heavy Crude Oils

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Universal biomarker analysis using GC×GC with dual FID and ToF-MS (EI/FI) detection

Cited by 20 publications

References 24 publications

Comparison of a GC-Orbitrap-MS with Parallel GC-FID Capabilities for Metabolomics of Human Serum

Comparison of a GC-Orbitrap-MS with Parallel GC-FID Capabilities for Metabolomics of Human Serum

Evaluation of the Performance of Cryogen-Free Thermal Modulation-Based Comprehensive Two-Dimensional Gas Chromatography-Time-of-Flight Mass Spectrometry (GC×GC-TOFMS) for the Qualitative Analysis of a Complex Bitumen Sample

2.4 Analysis of Heavy Crude Oil and Its Refined Products by Various Chromatographic and Mass Spectrometry Methods

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