Identification of highly polar nitroaromatic compounds in leachate and ground water samples from a TNT-contaminated waste site by LC-MS,LC-NMR,and off-line NMR and MS investigations |
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Authors: | Alfred Preiss Manfred Elend Susanne Gerling Edith Berger-Preiss Klaus Steinbach |
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Institution: | (1) Fraunhofer Institute of Toxicology and Experimental Medicine (ITEM), Nikolai-Fuchs-Straβe 1, 30625 Hanover, Germany;(2) Department of Chemistry, Philipps University, Hans-Meerwein-Straβe, 35032 Marburg, Germany |
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Abstract: | Leachate and ground water samples from a trinitrotoluene-contaminated waste disposal site near a former ammunitions plant
in Stadtallendorf, Germany, were analyzed by liquid chromatography (LC)-mass spectrometry (MS) and LC-NMR hyphenated techniques
to comprehensively characterize the range of highly polar nitroaromatic compounds. Wherever unknown components could not be
identified by comparison with a multistandard, the spectroscopic data obtained on-line were used to make initial structure
proposals, which were later confirmed by comparison with authentic reference materials. In those cases where reference materials
were not commercially available, unknown compounds were isolated by HPLC cuts and their structures were elucidated by off-line
NMR and MS investigations. A variety of previously unknown compounds, including nitrophenols, nitrobenzyl alcohols, methylnitrobenzoic
acids, and hydroxynitrobenzoic acids, could be identified. The NMR and MS data are presented here. The main polar compounds
were additionally quantified. |
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Keywords: | TNT-contaminated waste site Polar nitroaromatic compounds Spectroscopic data |
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