Mass spectrometric characterization of Q1, a C9H3Cl7N2 contaminant in environmental samples

40Citations
Citations of this article
7Readers
Mendeley users who have this article in their library.
Get full text

Abstract

Q1, a heptachloro component of unknown structure and origin, was recently identified as a major organochlorine contaminant in samples from Africa and the Antarctic. Gas chromatography in combination with low resolution mass spectrometry (LRMS) was applied to establish a molecular weight of m/z 384 including seven chlorine atoms. Three possible molecular formulae (C11H7Cl7, C10H3C17O, and C9H3Cl7N2) were proposed which could not be distinguished by LRMS. In this presentation the molecular composition of Q1 was studied using gas chromatography in combination with high resolution electron impact ionization mass spectrometry. With the option of further heteroatoms (P, S, N, O, F, and Br), 17 molecular formulae were obtained for the molecular weight of 384 u. In the selected ion monitoring (SIM) mode, performed with a resolution of 16,000, highest response was found at 383.812 or C9H3Cl7N2. 11 fragment ions detected in the low resolution full scan mass spectrum of Q1 were also investigated in the high resolution SIM mode. In every case, the nitrogen-variant showed highest abundance while the other 16 structural variants could be definitely excluded. These investigations revealed that the molecular formula of Q1 is C9H3Cl7N2. No stable component with this molecular formula has ever been reported in the literature, to our knowledge.

Cite

CITATION STYLE

APA

Vetter, W., Alder, L., & Palavinskas, R. (1999). Mass spectrometric characterization of Q1, a C9H3Cl7N2 contaminant in environmental samples. Rapid Communications in Mass Spectrometry, 13(21), 2118–2124. https://doi.org/10.1002/(SICI)1097-0231(19991115)13:21<2118::AID-RCM762>3.0.CO;2-C

Register to see more suggestions

Mendeley helps you to discover research relevant for your work.

Already have an account?

Save time finding and organizing research with Mendeley

Sign up for free