New approach to study of spilled crude oils using high resolution GC-MS (SIM) and metastable reaction monitoring GC-MS-MS

Muñóz, David; Doumenq, Pierre; Guiliano, M.; Jacquot, F.; Scherrer, Pierre; Mille, G.

doi:10.1016/s0039-9140(96)02054-1

Cited by 20 publications

(6 citation statements)

References 12 publications

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“…685 Wang and Fingas reported the differentiation of the source of spilled oil using GC/MS, 687 and Munoz et al developed a new approach using GC/ high-resolution-MS and metastable reaction monitoring GC/MS/MS. 688 White et al reported the pyrolysis-GC/MS analysis of contaminated soils from Alaska and discussed complications from the presence of natural organic matter (NOM). 689 In this study, the background interference from natural organic matter could be removed by quantifying biogenic indicators.…”

Section: Other Organic Pollutantsmentioning

confidence: 99%

“…Isotope ratio-MS was used in several studies to determine the source of hydrocarbon pollution. − In one of these studies, bitumen pollution along the coastlines of the Northern Territory in Australia was linked to oils originating from the Central Sumatra Basin . Wang and Fingas reported the differentiation of the source of spilled oil using GC/MS, and Munoz et al developed a new approach using GC/high-resolution-MS and metastable reaction monitoring GC/MS/MS . White et al reported the pyrolysis-GC/MS analysis of contaminated soils from Alaska and discussed complications from the presence of natural organic matter (NOM) .…”

Section: Other Organic Pollutantsmentioning

confidence: 99%

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Mass Spectrometry in Environmental Sciences

Richardson

2001

Chem. Rev.

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Section: Other Organic Pollutantsmentioning

confidence: 99%

Section: Other Organic Pollutantsmentioning

confidence: 99%

Mass Spectrometry in Environmental Sciences

Richardson

2001

Chem. Rev.

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“…Peak separation can be improved by using longer capillary columns or more sophisticated mass spectrometry methods; e.g. high-resolution GC-MS and GC-MS-MS have been found particularly useful for improved resolution and identification of biomarker compounds (7). However, such instrumentation is not widespread in the scientific community, and it is cumbersome to identify and quantify large numbers of peaks as a means to compare oil spill samples and source oils.…”

Section: Introductionmentioning

confidence: 99%

Chemical Fingerprinting of Petroleum Biomarkers Using Time Warping and PCA

Christensen

Tomasi

Hansen

2004

Environ. Sci. Technol.

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A new method for chemical fingerprinting of petroleum biomakers is described. The method consists of GC-MS analysis, preprocessing of GC-MS chromatograms, and principal component analysis (PCA) of selected regions. The preprocessing consists of baseline removal by derivatization, normalization, and alignment using correlation optimized warping. The method was applied to chromatograms of m/z 217 (tricyclic and tetracyclic steranes) of oil spill samples and source oils. Oil spill samples collected from the coastal environment in the weeks after the Baltic Carrier oil spill were clustered in principal components 1 to 4 with oil samples from the tank of the Baltic Carrier (source oil). The discriminative power of PCA was enhanced by deselecting the most uncertain variables or scaling them according to their uncertainty, using a weighted least squares criterion. The four principal components were interpreted as follows: boiling point range (PC1), clay content (PC2), carbon number distribution of sterols in the source rock (PC3), and thermal maturity of the oil (PC4). In summary, the method allows for analyses of chromatograms using a fast and objective procedure and with more comprehensive data usage compared to other fingerprinting methods.

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“…Furthermore, time-consuming multiple tandem MS steps (MS n ) are often necessary to identify the general structure of a molecule. If a single tandem MS event is sufficient, the MS/MS analysis can also be realized by hyphenating the mass spectrometer to a chromatographic separation technique, such as liquid chromatography (LC) − or gas chromatography (GC). ,,− The resulting data sets of this analytical combination can result in very large data sets that may be hard to process and evaluate, especially if a high-resolving mass spectrometer, such as a FT-ICR-MS, is used . Hence, a simple and fast analysis and data evaluation method to characterize the structure of single compounds, or at least structural subunits and functional groups, would be of great interest to overcome the previously mentioned problems.…”

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confidence: 99%

Structural Characterization of Acidic Compounds in Pyrolysis Liquids Using Collision-Induced Dissociation and Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

2018

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In this study, a novel approach to characterize and identify acidic oil compounds utilizing the fragmentational behavior of their corresponding precursor ions is presented. Precursor ions of seven analyzed pyrolysis oils that were generated from pyrolysis educts of different origins and degrees of coalification were produced by electrospray ionization in the negative ion mode (ESI(−)). Following a fragmentation of all ions in the ion cloud by collision-induced dissociation (CID), the precursor and product ions were subsequently detected by ultrahigh resolving Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS). The ESI(−)-CID data sets were evaluated by applying either a targeted classification or untargeted clustering approach. In the case of the targeted classification, 10% of the ionized precursor ions of the analyzed pyrolysis liquid samples could be classified into one of 11 compound classes utilizing theoretical fragmentation pathways of these classes. In contrast, theoretical fragmentation pathways were not necessary for the untargeted clustering approach, making it the more transmittable method. Results from both approaches were verified by analyzing standard compounds of known structure. The analysis and data evaluation methods presented in this work can be used to characterize complex organic mixtures, such as pyrolysis oils, and their compounds in-depth on a structural level.

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New approach to study of spilled crude oils using high resolution GC-MS (SIM) and metastable reaction monitoring GC-MS-MS

Cited by 20 publications

References 12 publications

Mass Spectrometry in Environmental Sciences

Mass Spectrometry in Environmental Sciences

Chemical Fingerprinting of Petroleum Biomarkers Using Time Warping and PCA

Structural Characterization of Acidic Compounds in Pyrolysis Liquids Using Collision-Induced Dissociation and Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

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