Powerful GC-TOF-MS Techniques for Screening, Identification and Quantification of Halogenated Natural Products
2013 (English)In: Mass Spectrometry, ISSN 2186-5116, Vol. 2, no Special Issue, S0018- p.Article in journal (Refereed) Published
Comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry (GC×GC TOFMS) and gaschromatography/high-resolution time-of-flight mass spectrometry (GC-HRT) were used to detect and identify halogenatednatural products (HNPs) in tissue homogenate, in this case brominated analytes present in a marine snail. Two classes of brominatedanthropogenic compounds, polybrominated diphenyl ethers (PBDEs) and brominated dibenzofurans, were analyzedfor comparison. Following conventional preparation, the sample was analyzed using GC×GC-TOF-MS. Isotope ratio scriptswere used to compile a list of putatively brominated analytes from amongst the thousands of features resolved in the twodimensionalchromatogram. The structured nature of the chromatogram was exploited to propose identifications for severalclasses of brominated compounds, and include additional candidates that fell marginally outside the script tolerances. Thesample was subsequently analyzed by GC-HRT. The high-resolution mass spectral data confirmed many formula assignments,facilitated confident assignment of an alternate formula when an original proposal did not hold, and enabled unknown identification.Identified HNPs include hydroxylated and methoxylated PBDE analogs, polybrominated dibenzo-p-dioxins (PBDDs)and hydroxyl-PBDDs, permitting the environmental occurrence and fate of such compounds to be studied.
Place, publisher, year, edition, pages
2013. Vol. 2, no Special Issue, S0018- p.
GC×GC, multi-reflectron TOF, halogenated natural products, dioxins, screening, emerging pollutants
IdentifiersURN: urn:nbn:se:su:diva-94954DOI: 10.5702/massspectrometry.S0018OAI: oai:DiVA.org:su-94954DiVA: diva2:657176
19th International Mass Spectrometry Conference, September 15-21, 2012, Kyoto, Japan