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Article
Open AccessElucidation of chromatographic peak shifts in complex samples using a chemometrical approach
Chromatographic retention time peak shifts between consecutive analyses is a well-known fact yet not fully understood. Algorithms have been developed to align peaks between runs, but with no specific studies c...
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Article
Open AccessNon-target time trend screening: a data reduction strategy for detecting emerging contaminants in biological samples
Non-targeted mass spectrometry-based approaches for detecting novel xenobiotics in biological samples are hampered by the occurrence of naturally fluctuating endogenous substances, which are difficult to disti...
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Article
Open AccessDiscrimination of conventional and organic white cabbage from a long-term field trial study using untargeted LC-MS-based metabolomics
The influence of organic and conventional farming practices on the content of single nutrients in plants is disputed in the scientific literature. Here, large-scale untargeted LC-MS-based metabolomics was used...
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Article
Open AccessA concept study on non-targeted screening for chemical contaminants in food using liquid chromatography–mass spectrometry in combination with a metabolomics approach
A generic method to screen for new or unexpected contaminants at ppm levels in food has been developed. The method comprises an acidic acetonitrile extraction, detection with ultra-high-pressure liquid chromat...
