Quantification of chlorinated paraffins by chromatography coupled to high-resolution mass spectrometry – Part B: Influence of liquid chromatography separation

Amoura, Cherine; Larvor, Frédéric; Marchand, Philippe; Bizec, Bruno Le; Cariou, Ronan; Bichon, Emmanuelle

doi:10.1016/j.chemosphere.2024.141401

Cited by 1 publication

(2 citation statements)

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“…Due to similar polarities of carbon- and chlorine-homologues of CPs, these coelute in a wide retention time window . As a consequence of the large number of stereoisomers present in CP mixtures, broad chromatographic peaks of 2–3 min are often expected. − This complicates the data processing based on the chromatographic peak area. In addition, instrumentation with high resolution is beneficial for CP analysis; therefore, quadrupole time-of-flight or Orbitrap mass analyzers are preferably used. , Under respective chromatographic conditions, the ESI source generates [M + Cl] − , [M – H] − or [M + acetate] − ions, whereas the APCI source generates [M + Cl] − ions. − This results in complex mass spectra, which can contain more than 1400 target compounds.…”

Section: Introductionmentioning

confidence: 99%

“… 10 As a consequence of the large number of stereoisomers present in CP mixtures, broad chromatographic peaks of 2–3 min are often expected. 10 − 12 This complicates the data processing based on the chromatographic peak area. In addition, instrumentation with high resolution is beneficial for CP analysis; therefore, quadrupole time-of-flight or Orbitrap mass analyzers are preferably used.…”

Section: Introductionmentioning

confidence: 99%

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A Quasi Real-Time Evaluation of High-Resolution Mass Spectra of Complex Chlorinated Paraffin Mixtures and Their Transformation Products

Mendo Diaz,

Patiny,

Tell

et al. 2024

Anal. Chem.

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Chlorinated paraffins (CPs) are complex mixtures of polychlorinated n-alkanes with multiple carbon-(C-, n C = 9− 30) and chlorine homologues (Cl-, n Cl = 3−18). The mass spectrometric analysis of CPs is time-consuming and challenging, especially when interferences between CPs, their transformation products, or from the matrix are numerous. These analytical challenges and the lack of appropriate and accessible data evaluation tools are obstacles to their analysis. CP-Hunter is a web-based, open-access data processing platform for the automatic analysis of mass spectra of CPs and their transformation products. Extracts of two consumer plastic materials and sewage sludge were evaluated with CP-Hunter. C-and Cl-homologue distributions were obtained in quasi-real-time and the posterior calculated fingerprints were in agreement with the ones obtained by traditional methods. However, the data extraction and evaluation time were now reduced from several minutes to seconds. The implemented signal deconvolution method, i.e., to resolve mass spectrometric interferences, provides robust results, even when severe matrix effects are present. CP-Hunter facilitates the untargeted analysis of unknown products and the detection and elimination of false positive signals. Finally, data evaluation with CP-Hunter is performed locally without the transfer of data to external servers. The tool is safe, public, and accessible at https://cphunter.cheminfo.org/.

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