Water quality management is an essential part of the environmental monitoring industry. Chemists process large volumes of LC/MS and GC/MS data to identify pollutants present in water and wastewater.
Accelerate your chromatographic workflow using method development and automated processing software. Use the available databasing tools to store your results so they can be searched and shared.
- Extract relevant chromatographic components and identify expected compounds
- Detect trace and co-eluting pollutants by reducing noise
- Build a knowledgebase of spectral data to profile the chemical composition of samples across sites
Do you need to identify unknown compounds from complex mixtures? Our software allows you to dereplicate and verify chemical structures quickly from analytical data. For novel compounds, use our applications to quantitatively evaluate the fit between a proposed structure and experimental spectra.
ACD/Labs is a world leader in structure elucidation and dereplication software, so you can identify environmental contaminants with confidence.
- Determine chemical identity from mass spectroscopy and NMR data
- Perform de novo elucidation for complex unknown structures
- Automatically sort and filter the best structure candidates based on structure/spectrum fit
Experimentally testing the toxicity of environmental contaminants is onerous and expensive. Isolating and testing trace pollutants in wastewater, soil, and other environmental samples is time-consuming work that is often costly.
Reduce or eliminate expensive animal testing. Use predictive software to rapidly determine the toxicological properties of natural and synthetic compounds. ACD/Labs offers a state-of-the-art prediction platform to investigate potential environmental contaminants at the click of a button.
- Predict acute or aquatic toxicity for a compound based on predicted LD50 or LC50 values
- Save hundreds of hours of unnecessary biological assays
- Use reliability index and similar structures to assess confidence in the predicted result
“We identify more peaks, more reliably at lower reporting levels. [IXCR has provided] automation of manual processes leading to time/cost savings and released experienced analysts to other tasks.”