Goeury Ken, Vo Duy Sung, Munoz Gabriel, Prévost Michèle, Sauvé Sébastien
Department of Chemistry, Université de Montréal, Montreal, QC, Canada.
Department of Civil, Geological and Mining Engineering, École Polytechnique de Montréal, Montreal, QC, Canada.
Data Brief. 2019 Apr 26;24:103958. doi: 10.1016/j.dib.2019.103958. eCollection 2019 Jun.
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 APCI) are presented, including optimization results of source parameters. Compound-dependent responses when varying the UHPLC mobile phase salt concentration of ammonium fluoride (NHF) 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 "" Goeury et al., 2019.
该数据库展示了用于分析美国环境保护局（EPA）优先关注的内分泌干扰化合物（13种激素和双酚A）的超高效液相色谱-电喷雾电离串联质谱法（UHPLC-MS/MS）的优化过程。为提高灵敏度，对各种方法参数进行了测试和比较。给出了与电离源（加热电喷雾电离 大气压化学电离）选择相关的数据，包括源参数的优化结果。提供了改变超高效液相色谱流动相氟化铵（NHF）盐浓度时化合物依赖性响应。给出了色谱梯度程序细节以及证明α-雌二醇和β-雌二醇分离的色谱数据。此外，我们还提供了优化条件下的质谱参数细节、定量和确证质谱/质谱转换（QT/CT）的相对响应以及超高效液相色谱-质谱/质谱谱图中的点数。还描述了保留条件下的样品制备和仪器分析程序。本文的数据集支持了“Goeury等人，2019年”的研究。
