All detected feature abundances from NTA pre-screen on TOF and merged in-depth Orbitrap data collection from 2017 water set, as well as Orbitrap raw abundances and estimated concentrations from ClPFPECA compounds from 2019 POET samples. This dataset is associated with the following publication: McCord, J., M. Strynar, J. Washington, E.L. Bergman, and S.M. Goodrow. Emerging Chlorinated Polyfluorinated Polyether Compounds Impacting the Waters of Southwestern New Jersey Identified by Use of Nontargeted Analysis. Environmental Science & Technology Letters. American Chemical Society, Washington, DC, USA, 7(12): 903-908, (2020).

This data release contains the analytical results of three contaminant classes in water using two types of passive sampling devices. Samples were collected at eight sites in the lower Columbia River and two sites in the lower Willamette River in Oregon and Washington. A Polar Organic Compound Integrating Sampler (POCIS) and a Solid-Phase Adsorption Toxin Tracker (SPATT) sampler were deployed at the ten sites in three separate seasons in 2023 to capture a range of environmental conditions. The POCIS samplers were used to detect the presence of both per- and polyfluoroalkyl substances (PFAS, n=75) and waste indicator compounds (WI, n=39). The SPATT samplers were used to detect four cyanotoxins present in the water: microcystins/nodularins (ADDA), cylindrospermopsins, anatoxins, and saxitoxins. Both sampler types were deployed over various lengths of time to concentrate chemicals and toxins and allow for the detection of chemical and toxin concentrations at low levels.

This dataset includes per-and polyfluoroalkyl substances (PFAS) and pharmaceuticals monitored at 62 sampling sites in tributaries of the Laurentian Great Lakes. Chemicals were evaluated in a sediment sample (PFAS only) and water concentrations were estimated using polar organic chemical integrative samplers (POCIS). Sediment samples were collected from the 62 sites in June and July 2018, which were analyzed for 23 PFAS compounds using liquid chromatography tandem mass spectrometry (LC/MS/MS). Duplicate sediment samples were collected at 23 sites. Overall, 22 of the 23 sediment PFAS compounds analyzed were detected in samples from at least one site. Pharmaceuticals and PFAS samples were collected instream by deploying two POCIS at each site for approximately 30 days during the period of May through October 2018. POCIS were compromised at two sites, so POCIS data are only included for 60 of the 62 sites. POCIS blanks and replicates were also collected at six sites. Replicate POCIS were deployed within the same stream cross section. Blanks were collected by exposing prepared POCIS to the air during the time it took to deploy and retrieve the sampler. POCIS blank samples were extracted along with field samples at the end of the deployment period. POCIS extracts were analyzed for 107 pharmaceuticals (USGS National Water Quality Laboratory schedule 2440). A separate POCIS extract was analyzed for 34 PFAS using high-performance liquid chromatograph (HPLC) coupled to a triple quadrupole mass spectrometer (MS/MS). Of these compounds, 49 pharmaceuticals and 17 PFAS had POCIS uptake rates, allowing calculations of time-weighted mean concentration over the approximately 30-day deployment. Collectively, there were 69 pharmaceuticals and 21 PFAS detected in environmental POCIS samples.

State and local county health departments have detected per- and polyfluoroalkyl substances (PFAS) in groundwater downgradient of airports and military and firefighting training areas in Long Island, New York. However, the occurrence and spatial distribution of PFAS throughout the surficial aquifer is not well established. Shallow groundwater samples were collected in 2018 from two observation well networks; the Sentinel network and Wastewater Treatment Plant groundwater (WTPGW) network. The Sentinel network is an island-wide group of wells screened within the shallow upper glacial (surficial, <100 feet deep) aquifer, which were sampled to assess the occurrence of PFAS in different land-use settings. The WTPGW network consisted of shallow (<60 feet deep) wells located downgradient of decentralized wastewater treatment systems discharging to groundwater, which were sampled to determine if these systems are a source of PFAS to groundwater. Each sample was analyzed for 18 PFAS compounds. This sample collection documents the first Long Island-wide assessment for ambient PFAS contamination within the shallow aquifer system. An extensive quality-assurance and quality-control program developed specifically for the expected low level (<200 nanograms per liter [ng/L]) PFAS environmental concentrations within the groundwater networks revealed no detections of the 18 PFAS compounds analyzed. This indicates that selected equipment, cleaning, sampling, and handling procedures are sufficient to provide data that reflects environmental conditions. Twenty-six of the 37 wells sampled in the Sentinel network had one or more PFAS compounds detected, and up to 8 compounds were detected in a single sample. Ten PFAS compounds have been detected in these samples, with individual compound concentrations ranging from 3.4 to 93 ng/L. Land-use settings for these sample sites varied between medium- and high-density residential and mixed-use commercial properties. Seven monitoring wells surrounding leach fields from three different decentralized wastewater treatment systems (WTPGW network) found four or more PFAS in each groundwater sample. Twelve PFAS compounds have been detected in these samples, with individual compound concentrations ranging from 5 to 620 ng/L. The greatest variety of PFAS was detected at the site that served an assisted living and rehabilitation facility and a hotel while the highest PFAS concentrations were detected at the site that served a strip mall (commercial property).

This data release contains concentration and isotope-dilution standard (IDS) recovery data from individual samples that are summarized and interpreted in the U.S. Geological Survey (USGS) Techniques and Methods (T&M) Report "Determination of Per- and Polyfluoroalkyl Substances in Water by Direct Injection of Matrix-Modified Centrifuge Supernatant and Liquid Chromatography-Tandem Mass Spectrometry with Isotope Dilution". This includes results from method validation experiments and quality control data collected in conjunction with custom sample analysis for customers using USGS National Water Quality Laboratory (NWQL) Laboratory Code 9660 between December 15, 2020 and March 2, 2022. Results in the T&M Report are presented as statistical summaries of data from multiple related samples, the individual sample data that underlie those summaries are presented here.