CITEPro
Chemicals In The Environment Profiler

6 Target and non-target LC-and GC-HRMS screening
Three liquid chromatography/gas chromatography-high resolution mass spectrometry systems (LC/GC-HRMS) allow for the simultaneous detection of thousands of compounds with high sensitivity in complex sample extracts from water, biota, sediments, soils, etc. The quadrupole-Orbitrap LC-HRMS systems (Thermo QExactive Plus and Thermo Exploris 480) are equipped with an autosampler, ternary and quaternary LC pumps, and a column oven and can use electrospray, atmospheric pressure chemical or atmospheric pressure photo ionization (ESI, APCI, APPI) interfaces are used for the analysis of polar and hydrophilic compounds. The GC-HRMS (Thermo QExactive GC) can be used to analyze different environmental matrices for (semi-)volatile and nonpolar organic chemicals. It consists of a Gerstel Autosampler with thermo-desorption unit including the possibility of liquid sample injection, a Trace 1310 GC with a Gerstel Cold Injection System and a quadrupole-Orbitrap HRMS, which can be equipped with Electron ionization (EI) or chemical ionization sources.

Application: Target and non-target screening in environmental sample extracts
Main components
- 1. Thermo LC system
- 2. ESI, APCI and APPI source
- 3. Thermo QExactive Plus HRMS
- 4. Vanquish Flex LC System & Orbitrap Exploris 480
- 5. Gerstel Autosampler
- 6. Trace 1310 GC
- 7. EI/CI source
- 8. Thermo Q Exactive HRMS
Projects
Selected literature references
Finckh, S.; Carmona, E.; Borchardt, D.; Büttner, O.; Krauss, M.; Schulze, T.; Yang, S.; Brack, W.," Mapping chemical footprints of organic micropollutants in European streams". Environment International 2024, 183; DOI 10.1016/j.envint.2023.108371.
Wernicke, T.; Abel, S.; Escher, B. I.; Koschorreck, J.; Rüdel, H.; Jahnke, A., "Equilibrium sampling of suspended particulate matter as a universal proxy for fish and mussel monitoring". Ecotoxicology and Environmental Safety 2022, 232; DOI 10.1016/j.ecoenv.2022.113285.
Huber, C.; Brack, W.; Röder, S.; von Bergen, M.; Rolle-Kampczyk, U.; Zenclussen, A. C.; Krauss, M.; Herberth, G., "Pesticide residues and polyphenols in urine - A combined LC-HRMS screening to reveal intake patterns". Environment International 2024, 191; DOI 10.1016/j.envint.2024.108981.
Braun, G.; Herberth, G.; Krauss, M.; König, M.; Wojtysiak, N.; Zenclussen, A. C.; Escher, B. I., "Neurotoxic mixture effects of chemicals extracted from blood of pregnant women". Science 2024, 386, 301-309; DOI 10.1126/science.adq0336.