Screening halogenated environmental contaminants in biota based on isotopic pattern and mass defect provided by high resolution mass spectrometry profiling
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- 作者：Ronan Cariou ; laberca@oniris-nantes.fr" class="auth_mail" title="E-mail the corresponding author ; Elsa Omer ; Alexis Lé ; on ; Gaud Dervilly-Pinel ; Bruno Le Bizec
- 关键词：Emerging contaminants ; Chlorinated paraffins ; Fit-for-purpose data processing ; HRMS screening ; Visual Basic Script ; Chemical risk assessment
- 刊名：Analytica Chimica Acta
- 出版年：2016
- 出版时间：14 September 2016
- 年：2016
- 卷：936
- 期：Complete
- 页码：130-138
- 全文大小：1154 K
文摘
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We address the screening of halogenated compounds in large Full Scan HRMS datasets.
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The workflow involves peak picking, pairing script and review of paired features.
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The pairing script is based on exact mass differences between Cl and Br isotopes.
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H/Cl scale mass defect plots are used to review identified isotopic clusters.
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Chlorinated paraffins and HBCDDs could be detected in an eel sample muscle extract.