Detection and quantification of 6PPD-quinone in small mouth bass and whole-body coho salmon fry using two sample preparation methods, accelerated solvent extraction and sonication with centrifugation extraction

Concentrations of 6PPD-quinone, a primary transformation product of the rubber tire additive 6PPD, were measured in small mouth bass that were not exposed to 6PPD-quinone and used as quality control fish matrix for method optimization and in whole-body coho salmon fry that were exposed to known water concentrations of 6PPD-quinone during 96-hour acute toxicity exposures. Two different sample preparation methods were tested for side-by-side comparison, the accelerated solvent extraction (ASE) method and the sonication with centrifugation (S+C) extraction method. Samples were screened on a ultra-high performance liquid chromatograph coupled to a tandem mass spectrometer during the four following dates: 20240201 for smallmouth bass samples utilizing the S+C extraction method, 20240620 for coho salmon utilizing the S+C extraction method, 20241105 for smallmouth bass samples utilizing the ASE extraction method, and 20241121 for coho salmon utilizing the ASE extraction method. The dataset documents 1. sample identifications, extraction methods, sample masses, 6PPD-quinone concentrations, recovery of the extracted internal standard, recovery of the non-extracted internal standard for smallmouth bass tissue samples; and 2. sample identifications, extraction methods, sample masses, 6PPD-quinone concentrations, recovery of the extracted internal standard, recovery of the non-extracted internal standard for coho salmon fry tissue samples.

本数据集测定了橡胶轮胎添加剂6PPD的主要转化产物6PPD醌（6PPD-quinone）在两类鱼类样本中的浓度：一类为未暴露于6PPD醌、用作方法优化质控鱼基质的小口黑鲈；另一类为经96小时急性毒性暴露、暴露于已知浓度6PPD醌水体的银大麻哈鱼幼鱼全组织样本。
本研究采用两种平行对比的样品前处理方法：加速溶剂萃取（accelerated solvent extraction, ASE）法与超声离心萃取（sonication with centrifugation, S+C）法。
样本检测依托超高效液相色谱-串联质谱仪（ultra-high performance liquid chromatograph coupled to a tandem mass spectrometer）完成，检测时间节点如下：2024年2月1日，采用S+C法处理的小口黑鲈样本；2024年6月20日，采用S+C法处理的银大麻哈鱼幼鱼样本；2024年11月5日，采用ASE法处理的小口黑鲈样本；2024年11月21日，采用ASE法处理的银大麻哈鱼幼鱼样本。
本数据集涵盖两类组织样本的完整数据：1. 小口黑鲈组织样本的样本标识、前处理方法、样本质量、6PPD醌浓度、萃取内标回收率及非萃取内标回收率；2. 银大麻哈鱼幼鱼组织样本的样本标识、前处理方法、样本质量、6PPD醌浓度、萃取内标回收率及非萃取内标回收率。