The applications of gas chromatography–mass spectrometry ( GC – MS ) in process safety
Abstract Gas chromatography–mass spectrometry (GC–MS) is a powerful tool in process safety, widely applied to identify and monitor hazardous chemicals in industrial environments. Its ability to separate complex mixtures and unambiguously characterize components makes it essential for detecting leaks, monitoring volatile organic compound emissions, analyzing contaminants, and ensuring regulatory compliance. This paper highlights GC–MS applications in fire risk assessment, chemical hazard evaluation, and transportation safety. Key studies include compositional analysis of flammable gases emitted during battery thermal runaway, following UL 9540A to inform fire and explosion protection standards (NFPA 855, IFC 608, UL 9540). GC–MS has also been used to quantify flammable gases from expandable polymeric beads and molding compounds, supporting safe handling and transport decisions under UN Test U.1 for UN 2211 and UN 3314 classifications. In fire investigations, GC–MS identifies ignitable liquid residues using ASTM E1618, enhancing understanding of fire origin, fuel load, and incendiary characteristics. Additional applications include verifying refrigerant blends for safety classification (ASHRAE Standard 34) and coupling GC–MS with calorimetric tools such as ARC, VSP2, and RC‐1. This integration provides complementary chemical, physical, and kinetic data, enabling deeper insight into reaction mechanisms, dynamic hazard mitigation, and accident prevention during scale‐up processes.
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19
- 10.1016/j.microc.2017.02.022
- Feb 20, 2017
- Microchemical Journal
Validation of an HS-MS method for direct determination and classification of ignitable liquids
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24
- 10.1016/j.chroma.2019.460691
- Nov 7, 2019
- Journal of Chromatography A
Less than one minute low-pressure gas chromatography - mass spectrometry
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426
- 10.1007/s11306-018-1449-2
- Nov 1, 2018
- Metabolomics
Metabolomics aims to identify the changes in endogenous metabolites of biological systems in response to intrinsic and extrinsic factors. This is accomplished through untargeted, semi-targeted and targeted based approaches. Untargeted and semi-targeted methods are typically applied in hypothesis-generating investigations (aimed at measuring as many metabolites as possible), while targeted approaches analyze a relatively smaller subset of biochemically important and relevant metabolites. Regardless of approach, it is well recognized amongst the metabolomics community that gas chromatography-mass spectrometry (GC-MS) is one of the most efficient, reproducible and well used analytical platforms for metabolomics research. This is due to the robust, reproducible and selective nature of the technique, as well as the large number of well-established libraries of both commercial and 'in house' metabolite databases available. This review provides an overview of developments in GC-MS based metabolomics applications, with a focus on sample preparation and preservation techniques. A number of chemical derivatization (in-time, in-liner, offline and microwave assisted) techniques are also discussed. Electron impact ionization and a summary of alternate mass analyzers are highlighted, along with a number of recently reported new GC columns suited for metabolomics. Lastly, multidimensional GC-MS and its application in environmental and biomedical research is presented, along with the importance of bioinformatics. The purpose of this review is to both highlight and provide an update on GC-MS analytical techniques that are common in metabolomics studies. Specific emphasis is given to the key steps within the GC-MS workflow that those new to this field need to be aware of and the common pitfalls that should be looked out for when starting in this area.
- Research Article
78
- 10.1016/j.ijms.2006.07.002
- Aug 4, 2006
- International Journal of Mass Spectrometry
Sensitivity and noise in GC–MS: Achieving low limits of detection for difficult analytes
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155
- 10.1006/abio.1996.9880
- Jan 1, 1997
- Analytical Biochemistry
Measurement of Nitrite and Nitrate in Biological Fluids by Gas Chromatography–Mass Spectrometry and by the Griess Assay: Problems with the Griess Assay—Solutions by Gas Chromatography–Mass Spectrometry
- Research Article
- 10.59324/ejtas.2024.2(6).85
- Nov 1, 2024
- European Journal of Theoretical and Applied Sciences
The study seeks to employ gas chromatography combined with mass spectrometry (GC–MS) to examine the chemical profile of Trogoderma variabile across different host grains, including oats, wheat, and barley. It also seeks to compare samples of healthy grain (non-insect-contaminated) to those infested by T. variabile, to determine if unique compounds can be used to detect infestation. This would suggest that HS-SPME coupled with GC-MS could serve as a method for identifying T. variabile infestations.T. variabile was reared on the three various commodities. Solid-phase microextraction (SPME) was employed, followed by gas flame ionization (GC-FID) and gas chromatography-mass spectrometry (GC-MS) for the collection, separation, and identification of compounds. The findings revealed that 23 compounds were identified from adult insects reared on canola and wheat. Additionally, 26 compounds were emitted from both non-infested and infested wheat, with 22 being highly significant. Furthermore, 21 compounds showed significant differences between non-infested and infested oats. For infested and non-infested barley, 18 compounds differed significantly between the treatments.
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12
- 10.1016/b978-0-12-801329-8.00016-7
- Jan 1, 2014
- Methods in Enzymology
Chapter Sixteen - Analysis of Metabolomic Profiling Data Acquired on GC–MS
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30
- 10.1016/j.fochx.2022.100435
- Aug 23, 2022
- Food Chemistry: X
Assessment of the ‘taro-like’ aroma of pumpkin fruit (Cucurbita moschata D.) via E-nose, GC–MS and GC-O analysis
- Research Article
36
- 10.1016/s0003-2670(03)00499-9
- May 27, 2003
- Analytica Chimica Acta
Comparison of immunoassay and gas chromatography–mass spectrometry for measurement of polycyclic aromatic hydrocarbons in contaminated soil
- Book Chapter
- 10.1201/9781003222194-14
- Oct 13, 2022
Natural toxins of plant origin are present inherently in fruit plants and vegetables. Phytotoxins may also be present in food plants as a result of selection and new plant breeding methods. Various classes of food toxins such as lectins, cyanogenic glycosides, glycoalkaloids, and muscarin are found in different parts of food plants and those include the foliage, stems, buds, roots, tubers, and fruits. Among the phytotoxins, the most common toxic group includes phytoestrogens and phytosterols, observed in various plants. The detection and analysis of inherent detrimental phytotoxic compounds in food samples has become a serious concern. In this view, a high throughput, gas chromatography, and mass spectroscopy (GC-MS) technique is widely accepted for the qualitative and quantitative analysis of food toxins of plant origin. GC–MS had been the most commonly used technique for the analysis of phytoestrogenic compounds and their metabolites due to its marked potential of high resolution, selectivity, and sensitivity. The selection of an MS analyzer to employ directly relates to the user's need for mass resolution, mass range, spectral collection speed, and sensitivity. The majority of GC–MS applications now utilize bench-top instruments with linear quadrupoles and electron ionization, and generally under the operation mode of full scan and selected monitoring. This chapter comprehensively discusses the analytical strategies of GC-MS, food samples preparation, detection, and analysis of different food toxins of plant origin.
- Research Article
30
- 10.1016/j.talanta.2015.04.030
- Apr 21, 2015
- Talanta
Application of an HS–MS for the detection of ignitable liquids from fire debris
- Research Article
117
- 10.1016/j.chroma.2003.11.093
- Jan 14, 2004
- Journal of Chromatography A
Evaluation of the quality of sandalwood essential oils by gas chromatography–mass spectrometry
- Research Article
7
- 10.1016/j.chroma.2012.08.015
- Aug 10, 2012
- Journal of Chromatography A
Valid internal standard technique for arson detection based on gas chromatography–mass spectrometry
- Research Article
1
- 10.5897/jsppr11.043
- Mar 8, 2012
- Journal of Stored Products and Postharvest Research
Three analytical methods, including headspace solid-phase microextraction (HS-SPME), liquid–liquid extraction (LLE) and steam distillation extraction (SDE), were utilized to investigate the aroma profile characteristics of Xinjiang oblate-peach fruit during storage, and the characterizing compounds were detected by gas chromatography mass spectrometry (GC-MS). Silica fiber coated with (DVB-CAR-PDMS) was found to be more efficient for collecting the SPME headspace volatile compounds, and the extraction time of 40 min was preferred in this study. The SPME headspace volatile constituents present in oblate-peach before and after 4 weeks of cold storage (4±1°C) have been analysed, while some physical characteristics such as fruitweight, firmness, soluble solids content (SSC), and titratable acid were monitored during storage. The results show that the volatile compounds displayed different composition during storage, a total of 58 volatiles were identified, 52 prior to storage and 45 after 4 week’s storage, the content of lactones and esters, characteristic compounds of peach aroma, were much lower after 4 weeks of storage. Thirteen of the pre-storage volatiles were not found after storage. Key words: Oblate-peaches, aroma, gas chromatography mass spectrometry (GC–MS),headspace solid-phase microextraction (HS-SPME), liquid–liquid extraction (LLE), steam distillation extraction (SDE).
- Research Article
5
- 10.1007/s10973-020-10014-4
- Jul 6, 2020
- Journal of Thermal Analysis and Calorimetry
During fire investigation, gasoline, as a common accelerant, is produced by petroleum cracking. However, the pyrolysis residues of other petrochemicals may interfere with gasoline identification. Polymerised styrene butadiene rubber (SBR) 1502 has combustion characteristics highly consistent with those of gasoline, thus having a great effect on gasoline identification. This study investigated the pyrolysis process of SBR 1502 by using thermogravimetric–differential scanning calorimetry (TG–DSC) and gas chromatography–mass spectrometry (GC–MS) to examine the residues during combustion stages, including pyrolysis and nonpyrolysis stages. The results indicated that 2,3-dimethylnaphthalene in the pyrolysis residues of SBR 1502 in pyrolysis stages 2 and 3 was lacked. However, when SBR 1502 only undergoes the first pyrolysis stage or even earlier (Nonpyrolysis stage), the characteristic components in the residue are similar to gasoline. In addition, mathematical methods were applied to analyse relevance and differences between SBR 1502 and gasoline. The conclusion was that the Pearson product-moment correlation was > 0.990, which may interfere with the identification, and principal component analysis could efficiently distinguish them. The current results can provide an accurate and feasible basis for fire investigation.
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