Non-targeted analysis of electronics waste by comprehensive two-dimensional gas chromatography combined with high-resolution mass spectrometry: Using accurate mass information and mass defect analysis to explore the data

Ubukata, Makoto; Jobst, Karl J.; Reiner, Eric J.; Reichenbach, Stephen E.; Qing, Tao; Hang, Jing; Wu, Zhanpin; Dane, A. John; Cody, Robert B.

doi:10.1016/j.chroma.2015.03.050

Cited by 56 publications

(40 citation statements)

References 20 publications

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“…Peak series differing by the monomer mass may be easily recognized, as in the case of nylon polymers. Mass defect analysis, in particular Kendrick mass analysis may be used to identify characteristic peak series for cases in which the monomer series is not readily evident by inspection, and/or when multiple polymer types are present. …”

Section: Resultsmentioning

confidence: 99%

Thermal desorption and pyrolysis direct analysis in real time mass spectrometry for qualitative characterization of polymers and polymer additives

Cody

Fouquet

Takei³

2020

Rapid Comm Mass Spectrometry

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Rationale Direct analysis in real time mass spectrometry (DART‐MS) provides qualitative information about additives and polymer composition. However, the observed mass spectra are dependent on sampling conditions, in particular the DART gas temperature. This report describes the combination of a heated sample stage with DART‐MS for polymer characterization. Methods Industrial polymers with different compositions were examined by thermal desorption and pyrolysis (TDPy) DART. Samples were heated on disposable copper stages from ambient temperature to 600°C, and the evolved gases were introduced directly into a DART ion source through a glass tee. Time‐ and temperature‐dependent mass spectra were acquired using a high‐resolution time‐of‐flight mass spectrometer. Kendrick mass analysis was applied to the interpretation of complex mass spectra observed for fluorinated polymers. Results Positive‐ion DART mass spectra of common polymers exhibited peak series differing by monomer masses, often accompanied by a peak corresponding to the protonated monomer. Even polymers that did not exhibit a clear series of peaks produced characteristic mass spectra. Positive‐ion and negative‐ion mass spectra were recorded for fluorinated polymers, with polytetrafluoroethylene (PTFE) producing only negative ions. Thermal desorption provided characteristic temperature profiles for volatile species such as polymer additives and polymer pyrolysis products. Conclusions In comparison with direct analysis by positioning sample directly in the heated DART gas stream, TDPy DART provides a more versatile sampling method and provides thermal separation and profiling of polymer additives, intact short polymer chains, and pyrolysis fragments.

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Section: Resultsmentioning

confidence: 99%

Thermal desorption and pyrolysis direct analysis in real time mass spectrometry for qualitative characterization of polymers and polymer additives

Cody

Fouquet

Takei³

2020

Rapid Comm Mass Spectrometry

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“…This could be thought as a fingerprint of 279 the compound. 21 The resolutions of both spectra shown in 280 Figure 1B are not sufficient to make a distinct assignment of vibronic transitions. In particular, the rotational and vibrational fine structure is not or only in a limited manner accessible.…”

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confidence: 96%

Vacuum ultraviolet absorption spectroscopy in combination with comprehensive two-dimensional gas chromatography for the monitoring of volatile organic compounds in breath gas: A feasibility study

Gruber

Groeger

Harrison

et al. 2016

Journal of Chromatography A

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Vacuum ultraviolet (VUV) absorption spectroscopy was recently introduced as a new detection system for one, as well as comprehensive two-dimensional gas chromatography (GC×GC) and successfully applied to the analysis of various analytes in several matrices. In this study, its suitability for the analysis of breath metabolites was investigated and the impact of a finite volume of the absorption cell and makeup gas pressure was evaluated for volatile analytes in terms of sensitivity and chromatographic resolution. A commercial available VUV absorption spectrometer was coupled to GC×GC and applied to the analysis of highly polar volatile organic compounds (VOCs). Breath gas samples were acquired by needle trap micro extraction (NTME) during a glucose challenge and analysed by the applied technique. Regarding qualitative and quantitative information, the VGA-100 is compatible with common GC×GC detection systems like FID and even TOFMS. Average peak widths of 300ms and LODs in the lower ng range were achieved using GC×GC-VUV. Especially small oxygenated breath metabolites show intense and characteristic absorption patterns in the VUV region. Challenge responsive VOCs could be identified and monitored during a glucose challenge. The new VUV detection technology might especially be of benefit for applications in clinical research.

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“…With a high mass resolution and mass accuracy, HRTOF-MS could eliminate matrix interferences and significantly improve selectivity when analyzing CPs, giving more accurate analytical data. 27 Moreover, rapid improvements in the software available for processing GC×GC data 28 have made it possible to use GC×GC−HRTOF-MS to solve the problems involved in quantifying CPs in environmental samples. Sample Preparation.…”

Section: ■ Introductionmentioning

confidence: 99%

A Novel Method for Profiling and Quantifying Short- and Medium-Chain Chlorinated Paraffins in Environmental Samples Using Comprehensive Two-Dimensional Gas Chromatography–Electron Capture Negative Ionization High-Resolution Time-of-Flight Mass Spectrometry

Xia

Gao

Zheng

et al. 2016

Environ. Sci. Technol.

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Chlorinated paraffins (CPs) are complex technical mixtures containing thousands of isomers. Analyzing CPs in environmental matrices is extremely challenging. CPs have broad, unresolved profiles when analyzed by onedimensional gas chromatography (GC). Comprehensive twodimensional GC (GC×GC) can separate CPs with a high degree of orthogonality. A novel method for simultaneously profiling and quantifying short-and medium-chain CPs, using GC×GC coupled with electron capture negative ionization high-resolution time-of-flight mass spectrometry, was developed. The method allowed 48 CP formula congener groups to be analyzed highly selectively in one injection through accurate mass measurements of the [M − Cl] − ions in full scan mode. The correlation coefficients (R 2 ) for the linear calibration curves for different chlorine contents were 0.982 for short-chain CPs and 0.945 for medium-chain CPs. The method was successfully used to determine CPs in sediment and fish samples. By using this method, with enhanced chromatographic separation and high mass resolution, interferences between CP congeners and other organohalogen compounds, such as toxaphene, are minimized. New compounds, with the formulas C 9 H 14 Cl 6 and C 9 H 13 Cl 7 , were found in sediment and biological samples for the first time. The method was shown to be a powerful tool for the analysis of CPs in environmental samples.

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Non-targeted analysis of electronics waste by comprehensive two-dimensional gas chromatography combined with high-resolution mass spectrometry: Using accurate mass information and mass defect analysis to explore the data

Cited by 56 publications

References 20 publications

Thermal desorption and pyrolysis direct analysis in real time mass spectrometry for qualitative characterization of polymers and polymer additives

Thermal desorption and pyrolysis direct analysis in real time mass spectrometry for qualitative characterization of polymers and polymer additives

Vacuum ultraviolet absorption spectroscopy in combination with comprehensive two-dimensional gas chromatography for the monitoring of volatile organic compounds in breath gas: A feasibility study

A Novel Method for Profiling and Quantifying Short- and Medium-Chain Chlorinated Paraffins in Environmental Samples Using Comprehensive Two-Dimensional Gas Chromatography–Electron Capture Negative Ionization High-Resolution Time-of-Flight Mass Spectrometry

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