Target and Non-target Techniques for the Quantitation of Drugs of Abuse, Identification of Transformation Products, and Characterization of Contaminants of Emergent Concern by High Resolution Mass Spectrometry

Influence of Selected Antidepressants on the Ciliated Protozoan Spirostomum ambiguum: Toxicity, Bioaccumulation, and Biotransformation Products

“…The analysis of the occurrence of PhACs and their human metabolites in the environment has been restricted to compounds with standards available in the market [8,10,18]. With the development of new analytical mass spectrometers, i.e., Quadrupole time of flight (QTOF) working in all ion MS/MS modes and high-resolution Orbitrap™, it has become possible to detect a huge amount of non-target PhAC metabolites and transformation products [18,19] not only of human origin but also of microbial origin. However, neither PhAC nor their metabolites have yet been reported for their effect on protozoa.…”

Going Beyond the Analysis of Common Contaminants: Target, Suspect, and Non-Target Analysis of Complex Environmental Matrices by High-Resolution Mass Spectrometry

“…These components represent compounds with high molecular weight (m/z >500) and negative mass defect (-)(0.2-0.4). These obvious regions of interest were previously found in an independent analysis on samples from the same wastewater impacted water system (Heuett, 2015), and the sole presence and subsequent disappearance of these components in the effluent, suggests a likely transformation/degradation. Moreover, a negative mass defect indicates the possible presence of elements such as halogens.…”

“…Chromatographic separation was performed on a Hypersil Gold aQ analytical column (50 × 2.1 mm, 1.9 µm), protected by a Hypersil Gold aQ guard column (10 × 2.1 mm, 1.9 µm). The analytical method was adapted from (Heuett, 2015), to include data-dependent MS/MS analysis. Source conditions included a spray voltage of 4.00 kV, and a heated vaporizer region at 250 °C, in both positive and negative ionization mode.…”

“…The data analysis usually includes steps such as peak-picking, blank subtraction, componentization, molecular formula generation, isotopic pattern comparison, evaluation of adducts, and the assessment and comparison of fragmentation patterns . The benefits of suspect and non-target analysis to screen for known and emerging contaminants and their transformation products have been extensively documented in the literature (Avagyan et al, 2016;Bletsou et al, 2015;Gago-Ferrero et al, 2015;Heuett, 2015;Ruff et al, 2015;Schymanski et al, 2015).…”

Qualitative Detection of Selected Designer Drugs and Relevant Metabolites in Environmental Water Samples

“…Samples collected from the downstream mixing zone, and the drinking water intake and output locations did not contain parent drugs or metabolites in detectable concentrations. In previous studies conducted on the sample set of samples, several pharmaceuticals and personal care products were tentatively identified (Heuett, 2015.) Additional studies have detected MDMA in surface water collected at varying distances downstream from sewage treatment facilities in concentrations ranging from 0.2 to 180 ppt (Bartelt-Hunt et.…”