TBT exposure dataset of the manuscript "Assessment of endocrine disruptors effects on zebrafish (Danio rerio) embryos by untargeted LC-HRMS metabolomic analysis"

<strong>Raw LC-HRMS data of the TBT exposure of zebrafish embryos (for more details see https://doi.org/10.1016/j.scitotenv.2018.03.369)</strong> The exposure protocol involved zebrafish embryos exposed in groups of 20 to various concentrations of chemical compounds, with five replicates per treatment. The concentrations ranged from the lowest observed effect concentrations (LOECs) to control levels. After exposure, embryos were collected, washed, frozen, and stored. Metabolites were extracted from individual embryo pools using methanol and methionine sulfone. The extraction process included vortexing, sonication, and centrifugation, followed by addition of water and chloroform. The aqueous fraction was dried and reconstituted using acetonitrile-water solution. Liquid chromatography coupled with high-resolution mass spectrometry (LC-HRMS) was used for analysis. Chromatographic separations were carried out on a hydrophilic interaction liquid chromatography (HILIC) column. Mass spectrometry was performed using an Orbitrap mass spectrometer with electrospray ionization in positive and negative modes. The mass spectra were acquired at high resolution, and fragmentation scans were used for metabolite identification. The overall process aimed to analyze the metabolomic profile of zebrafish embryos exposed to different chemical concentrations. <strong>Data files</strong> TBT ESI+ (tbt_pos.rar) - CDF files - QC (4 replicates) - Control (5 replicates) - TBT 3 nM (5 replicates) - TBT 10 nM (5 replicates) - TBT 30 nM (5 replicates) - TBT 100 nM (5 replicates) TBT ESI- (tbt_neg.rar) - CDF files - QC (6 replicates) - Control (5 replicates) - TBT 3 nM (5 replicates) - TBT 10 nM (5 replicates) - TBT 30 nM (5 replicates) - TBT 100 nM (5 replicates)**斑马鱼胚胎三丁基锡（TBT）暴露的原始液相色谱-高分辨质谱（LC-HRMS）数据（详细信息参见https://doi.org/10.1016/j.scitotenv.2018.03.369）** 本实验暴露方案如下：将20枚斑马鱼胚胎分为一组，暴露于不同浓度的受试化合物，每组设置5个生物学重复。暴露浓度范围覆盖最低观察效应浓度（Lowest Observed Effect Concentrations, LOECs）至对照组水平。暴露结束后，收集胚胎并依次进行洗涤、冷冻与低温保存。采用甲醇与甲硫氨酸砜作为提取试剂，从各胚胎混合样本中提取代谢物。提取流程包括涡旋混匀、超声处理、离心分离，随后加入水与三氯甲烷进行液液萃取。收集上层水相组分，经干燥后以乙腈-水溶液复溶。采用液相色谱-高分辨质谱（LC-HRMS）联用技术完成样本分析。色谱分离采用亲水作用液相色谱（HILIC）柱。质谱检测使用轨道阱（Orbitrap）质谱仪，分别以正、负电喷雾电离模式运行。以高分辨率模式采集质谱数据，并通过碎裂扫描实现代谢物的定性鉴定。本整套实验流程旨在分析不同化学浓度暴露下斑马鱼胚胎的代谢组学特征。 **数据文件** 三丁基锡正模式电喷雾电离（TBT ESI+，对应压缩包tbt_pos.rar）：包含色谱数据交换格式（Chromatography Data Format, CDF）文件，其中质量控制（Quality Control, QC）样本4个生物学重复、对照组（Control）样本5个生物学重复、3纳摩尔（nM）三丁基锡暴露组5个生物学重复、10纳摩尔（nM）三丁基锡暴露组5个生物学重复、30纳摩尔（nM）三丁基锡暴露组5个生物学重复、100纳摩尔（nM）三丁基锡暴露组5个生物学重复。 三丁基锡负模式电喷雾电离（TBT ESI-，对应压缩包tbt_neg.rar）：包含CDF文件，其中QC样本6个生物学重复、对照组样本5个生物学重复、3 nM三丁基锡暴露组5个生物学重复、10 nM三丁基锡暴露组5个生物学重复、30 nM三丁基锡暴露组5个生物学重复、100 nM三丁基锡暴露组5个生物学重复。