Details zur Publikation

Kategorie Textpublikation
Referenztyp Zeitschriften
DOI 10.1016/j.jasms.2010.02.015
Titel (primär) HPLC/APCI-FTICR-MS as a tool for identification of partial polar mutagenic compounds in effect-directed analysis
Autor Bataineh, M.; Lübcke-von Varel, U.; Hayen, H.; Brack, W.
Quelle Journal of the American Society for Mass Spectrometry
Erscheinungsjahr 2010
Department WANA
Band/Volume 21
Heft 6
Seite von 1016
Seite bis 1027
Sprache englisch
Abstract Identification of unknown compounds remains one of the biggest challenges for the assignment of adverse effects of sediment contamination and other complex environmental mixtures to responsible toxicants by effect-directed analysis (EDA). The identification depends on information gained from biotesting, chromatographic separation, and mass spectrometric detection. Thus, a methodology is provided for non-target identification of partial polar mutagenic polyaromatic compounds in sediment extracts by using polymeric reversed-phase HPLC column, high-resolution mass spectrometry and PubChem database. After visualization and processing the chromatogram constituents by using deconvolution software, the unambiguous elemental compositions generated were used as input in PubChem database to find a possible identity for the suspected species. The retrieved structures from the database search were refined by characterized chromatographic and mass spectrometric classifiers based on 55 model compounds comprising eight different classes representing mutagenic substructures. The applicability of the method was demonstrated by positive and tentative identification of constituents of mutagenic sediment fractions similar to selected model compounds.
dauerhafte UFZ-Verlinkung https://www.ufz.de/index.php?en=20939&ufzPublicationIdentifier=9776
Bataineh, M., Lübcke-von Varel, U., Hayen, H., Brack, W. (2010):
HPLC/APCI-FTICR-MS as a tool for identification of partial polar mutagenic compounds in effect-directed analysis
J. Am. Soc. Mass Spectrom. 21 (6), 1016 - 1027 10.1016/j.jasms.2010.02.015