A non-targeted gas chromatography/electron capture negative ionization mass spectrometry selected ion monitoring screening method for polyhalogenated compounds in environmental samples

Hauler, Carolin; Vetter, Walter

doi:10.1002/rcm.7143

Cited by 21 publications

(15 citation statements)

References 44 publications

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“…Similarly, negative ion CI was used to confirm the presence of halogen substituents. This technique has also been used to guide discovery workflows aimed at finding and identifying halogenated environmental contaminants [ 48 ]. The PCI and NCI soft ionization techniques are in themselves complementary, as they selectively ionize compounds with high proton affinity and high electron affinity, respectively.…”

Section: Resultsmentioning

confidence: 99%

The strength in numbers: comprehensive characterization of house dust using complementary mass spectrometric techniques

et al. 2019

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Untargeted analysis of a composite house dust sample has been performed as part of a collaborative effort to evaluate the progress in the field of suspect and nontarget screening and build an extensive database of organic indoor environment contaminants. Twenty-one participants reported results that were curated by the organizers of the collaborative trial. In total, nearly 2350 compounds were identified (18%) or tentatively identified (25% at confidence level 2 and 58% at confidence level 3), making the collaborative trial a success. However, a relatively small share (37%) of all compounds were reported by more than one participant, which shows that there is plenty of room for improvement in the field of suspect and nontarget screening. An even a smaller share (5%) of the total number of compounds were detected using both liquid chromatography–mass spectrometry (LC-MS) and gas chromatography–mass spectrometry (GC-MS). Thus, the two MS techniques are highly complementary. Most of the compounds were detected using LC with electrospray ionization (ESI) MS and comprehensive 2D GC (GC×GC) with atmospheric pressure chemical ionization (APCI) and electron ionization (EI), respectively. Collectively, the three techniques accounted for more than 75% of the reported compounds. Glycols, pharmaceuticals, pesticides, and various biogenic compounds dominated among the compounds reported by LC-MS participants, while hydrocarbons, hydrocarbon derivatives, and chlorinated paraffins and chlorinated biphenyls were primarily reported by GC-MS participants. Plastics additives, flavor and fragrances, and personal care products were reported by both LC-MS and GC-MS participants. It was concluded that the use of multiple analytical techniques was required for a comprehensive characterization of house dust contaminants. Further, several recommendations are given for improved suspect and nontarget screening of house dust and other indoor environment samples, including the use of open-source data processing tools. One of the tools allowed provisional identification of almost 500 compounds that had not been reported by participants. Electronic supplementary material The online version of this article (10.1007/s00216-019-01615-6) contains supplementary material, which is available to authorized users.

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Section: Resultsmentioning

confidence: 99%

The strength in numbers: comprehensive characterization of house dust using complementary mass spectrometric techniques

et al. 2019

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“…Gas chromatography was predominately used as separation technique for OHC screening analysis coupled to different MS systems. These include low resolution quadrupole MS systems, HR-TOFMS and ultra-high resolution Fourier transform type mass spectrometers using electron impact ionization (EI) and electron capture negative ionization (ECNI) techniques [13][14][15][16][17]. New approaches used direct probe and GC as sample introduction systems to HR-TOFMS with atmospheric pressure chemical ionization (APCI) [18].…”

Section: Introductionmentioning

confidence: 99%

Comprehensive two-dimensional gas chromatography coupled to high resolution time-of-flight mass spectrometry for screening of organohalogenated compounds in cat hair

Brits

Gorst-Allman²,

Rohwer

et al. 2018

Journal of Chromatography A

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The coupling of comprehensive two-dimensional gas chromatography with high-resolution time-of-flight mass spectrometry offers the best separation efficiency combined with accurate mass measurements over a wide mass range. The tremendous power of this screening tool is illustrated by trace qualitative screening analysis of organohalogenated compounds (OHCs) in pet cat hair. Tentative identification was supported by mass spectral database searches and elemental formula prediction from the experimentally determined accurate mass data. This screening approach resulted in the first tentative identification of pentabromoethylbenzene, decabromodiphenyl ethane, hexabromocyclododecane, trisbromoneopentyl alcohol, tris(2-chloroethyl) phosphate and tris(2-chloroisopropyl)phosphate in the South African indoor environment. A total of seventy-two OHCs were identified in the samples and include known flame retardants, such as polybrominated diphenyl ethers, and legacy contaminants such as polychlorinated biphenyls and organochlorine, organophosphorous and pyrethroid pesticides. The results obtained from cat hair indicate that these pets are exposed to complex mixtures of OHCs and the detection of these compounds suggests that non-invasive cat hair samples can be used to model indoor exposure with reference to external deposition of OHCs present in the air and dust surrounding people. Toddlers share the same environment as pet cats and therefore also the same health risks.

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“…In fact, we found no studies that combined GC-HRMS data acquisition with comprehensive NTS of hazardous substances in marine mammals. However, several NTS studies have used comprehensive twodimensional GC-electron ionization low-resolution MS (GC×GC-EI-LRMS) [36][37][38][39][40][41][42] or electron capture negative ion chemical ionization (ECNI) LRMS [43] to screen for anthropogenic and natural compounds in marine mammals. Furthermore, halogen-specific filters have been applied to HRMS data (excluding the GC dimension) to screen for organohalogens in striped dolphins from the Mediterranean Sea [44].…”

Section: Supplementary Informationmentioning

confidence: 99%

“…Two studies involved marine mammals from Australia and South America. Hauler et al [41] reported the identification of > 400 polyhalogenated compounds in dolphin (Sousa chinensis) blubber samples from Australia, many of which originated from unknown compounds. Additionally, Alonso et al [40] detected 158 halogenated contaminants (including DDTs, MeO-BDEs, bromophenols, and mirex/dechloranes) in the blubber of bottlenose dolphins (Tursiops truncatus) from Rio de Janeiro, Brazil.…”

Section: Halogenated Natural Products and Emerging Contaminants In Wamentioning

confidence: 99%

Non-targeted screening workflows for gas chromatography–high-resolution mass spectrometry analysis and identification of biomagnifying contaminants in biota samples

Rebryk

Haglund

2020

Anal Bioanal Chem

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The health of key species in the Baltic region has been impaired by exposure to anthropogenic hazardous substances (AHSs), which accumulate in organisms and are transferred through food chains. There is, thus, a need for comprehensive characterization of the occurrence and accumulation of AHSs in the ecosystem. In this study, we use a non-target screening (NTS) approach for this purpose. A major challenge in NTS of biological samples is the removal of matrix components such as lipids that may interfere with the detection and identification of compounds of interest. Here, we combine gel permeation chromatography with Florisil® column fractionation to achieve sufficient lipid removal for gas chromatography–high-resolution mass spectrometry analysis using electron ionization (EI) and electron capture negative ion chemical ionization (ECNI). In addition, we present new data processing workflows designed to systematically find and identify frequently occurring and biomagnifying AHSs, including known, emerging, and new contaminants. Using these workflows, we discovered a wide range of contaminants in tissue samples from blue mussels, fish, and marine mammals, and calculated their biomagnification factors (BMFs). Compounds with BMFs above 1 for herring and at least one marine mammal included legacy chlorinated pollutants (polychlorinated biphenyls, DDTs, chloro-benzenes/cyclohexanes, chlordanes, toxaphenes, dieldrin), polybrominated diphenyl ethers (PBDEs), and brominated biphenyls. However, there were also several halogenated natural products (halogenated methoxylated brominated diphenyl ethers, 1′-methyl-1,2′-bipyrroles, 1,1′-dimethyl-2,2′-bipyrroles, and the halogenated monoterpene mixed halogenated compound 1) as well as the novel flame retardant Dechlorane 602 and several polycyclic aromatic hydrocarbons, terpenoids, and steroids. The legacy pollutants exhibited the expected biomagnification behavior, demonstrating the utility of the unguided data processing workflow.

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A non-targeted gas chromatography/electron capture negative ionization mass spectrometry selected ion monitoring screening method for polyhalogenated compounds in environmental samples

Cited by 21 publications

References 44 publications

The strength in numbers: comprehensive characterization of house dust using complementary mass spectrometric techniques

The strength in numbers: comprehensive characterization of house dust using complementary mass spectrometric techniques

Comprehensive two-dimensional gas chromatography coupled to high resolution time-of-flight mass spectrometry for screening of organohalogenated compounds in cat hair

Non-targeted screening workflows for gas chromatography–high-resolution mass spectrometry analysis and identification of biomagnifying contaminants in biota samples

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