Expanded coverage of non-targeted LC-HRMS using atmospheric pressure chemical ionization: a case study with ENTACT mixtures

Using prepared mixtures of ToxCast chemicals to evaluate non-targeted analysis (NTA) method performance

(2019) Jon R. Sobus et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Open-source QSAR models for pKa prediction using multiple machine learning approaches

(2019) Kamel Mansouri et al.   Journal of Cheminformatics

Distribution of polychlorinated biphenyls in effluent from a large municipal wastewater treatment plant: Potential for bioremediation?

(2018) Ran Jing et al.   JOURNAL OF ENVIRONMENTAL SCIENCES

OPERA models for predicting physicochemical properties and environmental fate endpoints

(2018) Kamel Mansouri et al.   Journal of Cheminformatics

“MS-Ready” structures for non-targeted high-resolution mass spectrometry screening studies

(2018) Andrew D. McEachran et al.   Journal of Cheminformatics

EPA’s non-targeted analysis collaborative trial (ENTACT): genesis, design, and initial findings

(2018) Elin M. Ulrich et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Trends in the application of high-resolution mass spectrometry for human biomonitoring: An analytical primer to studying the environmental chemical space of the human exposome

(2017) Syam S. Andra et al.   ENVIRONMENT INTERNATIONAL

Integrating tools for non-targeted analysis research and chemical safety evaluations at the US EPA

(2017) Jon R. Sobus et al.   Journal of Exposure Science and Environmental Epidemiology

The CompTox Chemistry Dashboard: a community data resource for environmental chemistry

(2017) Antony J. Williams et al.   Journal of Cheminformatics

New Publicly Available Chemical Query Language, CSRML, To Support Chemotype Representations for Application to Data Mining and Modeling

(2015) Chihae Yang et al.   Journal of Chemical Information and Modeling

Analysis of neutral lipids from microalgae by HPLC-ELSD and APCI-MS/MS

(2013) F. Donot et al.   JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES

Occurrence of PBDEs and other alternative brominated flame retardants in sludge from wastewater treatment plants in Korea

(2013) Sunggyu Lee et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Development of liquid chromatography atmospheric pressure chemical ionization tandem mass spectrometry for analysis of halogenated flame retardants in wastewater

(2009) Simon Ningsun Zhou et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Determination and occurrence of phthalates, alkylphenols, bisphenol A, PBDEs, PCBs and PAHs in an industrial sewage grid discharging to a Municipal Wastewater Treatment Plant

(2009) Juan Sánchez-Avila et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Negative APCI-LC/MS/MS Method for Determination of Natural Persistent Halogenated Products in Marine Biota

(2008) Koichi Haraguchi et al.   ANALYTICAL CHEMISTRY

Monitoring phospholipids for assessment of ion enhancement and ion suppression in ESI and APCI LC/MS/MS for chlorpheniramine in human plasma and the importance of multiple source matrix effect evaluations

(2008) O ISMAIEL et al.   JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES

Quantitative Aspects of and Ionization Mechanisms in Positive-Ion Atmospheric Pressure Chemical Ionization Mass Spectrometry

(2008) L HERRERA et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY