Hexa(methoxymethyl)melamine: An Emerging Contaminant in German Rivers

Dsikowitzky, Larissa; Schwarzbauer, Jan

doi:10.2175/106143014x14060523640919

Cited by 40 publications

(25 citation statements)

References 18 publications

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“…HMMM and related compounds have been previously identified in wastewater and surface water [2,3,44]. A widespread presence of HMMM in German rivers was reported by Dsikowitzky and Schwarzbauer [13] with a huge temporal and spatial variation and maximum concentrations of up to 880 ng/L in the Mulde river. Furthermore, we detected several "rare" and high-intensity peaks with molecular formulas and retention times similar to those of HMMM (e.g.…”

Section: Site Db (Dorfbach Niederschindmaas)mentioning

confidence: 83%

Prioritising site-specific micropollutants in surface water from LC-HRMS non-target screening data using a rarity score

et al. 2019

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Background: Current compound prioritisation and monitoring approaches within Europe focus mainly on widely occurring priority and river basin specific pollutants but may overlook site-specific contamination from local emission sources. Thus, we propose a robust and semiautomated approach for the identification of site-specific chemicals and a prioritisation of water bodies with specific contamination based on non-target screening data from liquid chromatography coupled to high-resolution mass spectrometry. Results: For prioritisation of site-specific contaminants, we calculated rarity scores for all peaks occurring in a set of 31 surface water samples, which combine the maximum signal intensity of a peak in a dataset with its frequency of occurrence in that dataset in one single number. These were a robust measure without the need to address the problems of missing data in more sophisticated multivariate statistical methods. For our dataset, site-specific compounds were defined for rarity scores > 1000, and the studied 31 sites showed a huge difference in the number of such peaks (0-91 in positive and 0-48 in negative ion mode). Together with isotopologue detection, the evaluation of mass defects and the occurrence of homologue series, which all could be obtained from automated data processing, a more detailed characterisation of these site-specific contaminations was possible. For three selected sites with a high number of site-specific peaks, novel or unexpected compounds could be identified, which stem from specific usage or (former) industrial production upstream of these sites. Conclusions and outlook: The proposed approach allows for a rapid screening of large non-target screening datasets for site-specific contaminants, the prioritisation of sites with such a specific contamination and the subsequent identification of these compounds. Thus, the risk of overlooking possibly hazardous chemicals (including unknowns) which are not covered in conventional monitoring and prioritisation schemes is reduced.

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Section: Site Db (Dorfbach Niederschindmaas)mentioning

confidence: 83%

Prioritising site-specific micropollutants in surface water from LC-HRMS non-target screening data using a rarity score

et al. 2019

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“…Based on an external calibration curve ( Figure S9) and the assumption that we archived 100% extraction efficiency via SPE and no significant ion suppression, we estimate the highest concentrations observed in our study (Peak Area = 2.1E8) to be between 1 and 10 ng/L. Hexa(methoxymethyl)melamine is a chemical component in resins used for coatings and plastics and has been described as a pollutant in rivers with acute fish and daphnia toxicity 58,59 . Interestingly, the relative abundance of Irgarol was higher in December before the rain (max Peak Area = 1.4E8) but only in the sample sites directly in the marina.…”

Section: Resultsmentioning

confidence: 94%

Non-targeted tandem mass spectrometry enables the visualization of organic matter chemotype shifts in coastal seawater

Petras¹,

Minich²,

Cancelada³

et al. 2020

Preprint

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Anthropogenic pollutants inundate marine ecosystems as human population growth and urbanization rapidly increase along the coast. The analytical methods applied to detect anthropogenic imprints in coastal seawater are historically aimed at measuring and monitoring a restricted number of compounds. More recently applied non-targeted approaches are typically still limited by spectral and structure library coverage. To prioritize anthropogenic impacts in marine systems beyond compounds present in libraries and suspect lists, we applied non-targeted liquid chromatography tandem mass spectrometry in combination with molecular networking. We integrated an advanced data analysis pipeline that allows scalable comparison of chemotypes between samples in addition to expanded compound annotation using molecular networking. Using this workflow, we explored the chemical impacts of a major rain event in January 2018 in coastal San Diego, USA in a total of 120 samples. We detected 4384 ion features and could annotate 92 MS/MS spectra by spectrum library matching of which 40 annotations were putative xenobiotics. The observed seawater chemotype shifted significantly after the rain event. Molecular drivers of this shift could be attributed to multiple anthropogenic compounds, such as pesticides (Imazapyr and Isoxaben), cleaning products (Benzyl-tetradecyl-dimethylammonium) and chemical additives (Hexa(methoxymethyl)melamine). Expanding the search of identified xenobiotics to other public tandem mass spectrometry datasets, we could further contextualize their possible origin and show their potential importance in other ecosystems. Ultimately, the mass spectrometry and data analysis pipelines applied here offer a scalable framework for future molecular mapping and monitoring of marine ecosystems, which we hope will contribute to a more deliberate assessment of how chemical pollution impacts marine environments.<br>

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“…Hexa(methoxymethyl)melamine appeared to drive the compositional distance between samples taken close to freshwater outflows. Hexa(methoxymethyl)melamine is a chemical component in resins used for coatings and plastics and has been described as a pollutant in rivers with acute fish and daphnia toxicity (Dsikowitzky and Schwarzbauer, 2015;Labunska et al, 2012). Based on an external calibration curve ( Figure S6) and a standard addition experiment ( Figure S7), we conclude that the extraction efficiency is only around 0.3% for Hexa(methoxymethyl)melamine.…”

Section: Identification Of Chemical Driversmentioning

confidence: 99%

Non-targeted tandem mass spectrometry enables the visualization of organic matter chemotype shifts in coastal seawater

Petras

Minich

Cancelada

et al. 2020

Preprint

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Urbanization along coastlines alters marine ecosystems including contributing molecules of anthropogenic origin to the coastal dissolved organic matter (DOM) pool. A broad assessment of the nature and extent of anthropogenic impacts on coastal ecosystems is urgently needed to inform regulatory guidelines and ecosystem management. Recently, non-targeted tandem mass spectrometry approaches are gaining momentum for the analysis of global organic matter chemotypes including a wide array of natural and anthropogenic compounds. In line with these efforts, we developed a non-targeted liquid chromatography tandem mass spectrometry workflow that utilizes advanced data analysis approaches such as feature-based molecular networking and repository-scale spectrum searches. This workflow allows the scalable comparison and mapping of seawater chemotypes from large-scale spatial surveys as well as molecular family level annotation of unknown compounds. As a case study, we visualized organic matter chemotype shifts in coastal environments in northern San Diego, USA, after significant rain fall in winter 2017/2018 and highlight potential anthropogenic impacts. The observed seawater chemotype shifted significantly after a major rain event. Molecular drivers of this shift could be attributed to multiple anthropogenic compounds, including pesticides (Imazapyr and Isoxaben), cleaning products (Benzyl-tetradecyl-dimethylammonium) and chemical additives (Hexa(methoxymethyl)melamine) and potential degradation products. By expanding the search of identified xenobiotics to other public tandem mass spectrometry datasets, we further contextualized their possible origin and show their importance in other ecosystems. The mass spectrometry and data analysis pipelines applied here offer a scalable framework for future molecular mapping and monitoring of marine ecosystems, which will contribute to a deliberate assessment of how chemical pollution impacts our oceans.<br>

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Hexa(methoxymethyl)melamine: An Emerging Contaminant in German Rivers

Cited by 40 publications

References 18 publications

Prioritising site-specific micropollutants in surface water from LC-HRMS non-target screening data using a rarity score

Prioritising site-specific micropollutants in surface water from LC-HRMS non-target screening data using a rarity score

Non-targeted tandem mass spectrometry enables the visualization of organic matter chemotype shifts in coastal seawater

Non-targeted tandem mass spectrometry enables the visualization of organic matter chemotype shifts in coastal seawater

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