Marine microbial degradation of water-soluble crude oil components - non-targeted metabolomics data

This dataset includes the semi-quantitative non-targeted metabolomics data generated with the LC/MS (FT-ICR-MS ESI) from a marine microbial degradation of water-soluble polar petroleum experiment (see more information below). Crude oil-derived polar compounds are receiving increasing attention due to their higher proportion in weathered oil, higher water solubility and potential harmful environmental impacts. However, these compounds are not amenable to GC-based analytical methods. Current knowledge on the characteristics and weathering patterns of oil-derived polar compounds relies on Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS). This study aims to couple, FT-ICR-MS analysis with emerging metabolomics techniques to characterize the metabolic products of petroleum weathering. Natural marine bacteria consortia were exposed to crude oil-derived compounds dissolved in seawater in a lab incubation study. Thre e sets of controls were used: (1) sterile seawater with oil-derived water-soluble compounds; (2) sterile seawater with natural marine bacteria and succinic acid, which was used as a simple carbon source instead of crude oil; and (3) seawater alone with natural marine bacteria. All incubation sets were supplemented with nutrients and kept in dark at room temperature for 14 days. This dataset includes semi-quantitative LC/MS, using the FT-ICR-MS, provided an assessment of secondary metabolites (internal and external) and weathering products of hydrocarbon degradation.本数据集包含一项针对水溶性极性石油的海洋微生物降解实验中，采用液相色谱-质谱联用仪（LC/MS，电喷雾电离傅里叶变换离子回旋共振质谱（FT-ICR-MS ESI））获得的半定量非靶向代谢组学数据，详细信息见下文。原油来源的极性化合物因其在风化原油中占比更高、水溶性更强且具有潜在环境危害，正受到越来越多的关注。然而此类化合物难以采用基于气相色谱（GC）的分析方法进行检测。目前关于石油来源极性化合物的特征与风化模式的认知，均依托于傅里叶变换离子回旋共振质谱（FT-ICR-MS）技术。本研究旨在将FT-ICR-MS分析与新兴代谢组学技术相结合，以表征石油风化过程中的代谢产物。本实验室培养实验中，将天然海洋细菌群落暴露于溶解于海水的原油来源化合物中。实验共设置三组对照：（1）添加石油来源水溶性化合物的无菌海水；（2）添加天然海洋细菌与琥珀酸（以琥珀酸作为替代原油的单一碳源）的无菌海水；（3）仅添加天然海洋细菌的天然海水。所有培养组均添加营养盐，并于室温避光条件下培养14天。本数据集包含采用FT-ICR-MS技术的半定量LC/MS数据，可用于评估烃类降解产生的次级代谢产物（胞内与胞外）以及风化产物。