Data supporting the optimization of liquid chromatography tandem mass spectrometry conditions to analyze EPA-priority hormones and bisphenol A in water samples

This database presents the optimization of ultra-high-performance liquid chromatography electrospray ionization tandem mass spectrometry (UHPLC-MS/MS) for the analysis of EPA-priority endocrine disruptor compounds (13 hormones and bisphenol A). Various method parameters were tested and compared for improved sensitivity. Data related to the selection of the ionization source (heated-ESI vs. APCI) are presented, including optimization results of source parameters. Compound-dependent responses when varying the UHPLC mobile phase salt concentration of ammonium fluoride (NH(4)F) are supplied. Details on the chromatographic gradient program and chromatographic data demonstrating the separation of α-estradiol and β-estradiol are provided. In addition, we supply the details on mass spectrometry parameters under the optimized conditions, relative responses of quantification and confirmation MS/MS transitions (QT/CT), and number of points present in UHPLC-MS/MS spectra. The sample preparation and instrumental analysis procedures under the retained conditions are also described. The herein dataset supports the research “Analysis of Environmental Protection Agency priority endocrine disruptor hormones and bisphenol A in tap, surface and wastewater by online concentration liquid chromatography tandem mass spectrometry” Goeury et al., 2019.