East River Surface and Pore Water FTICR-MS Data Associated with “Implications of sample treatment on characterization of the riverine environmental metabolome”

Surface and pore water samples were collected from distributed locations around Meander A in East River (Crested Butte, CO, USA) during the summer of 2018. This dataset consists of the characterization of dissolved organic matter using 12 Tesla Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS; in .xml format) analyzed through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory) using two different sample pre-treatment methods (solid phase extraction, no solid phase extraction) and two electrospray ionization methods (ESI-positive, ESI-negative) to identify the impacts of these choices on the final dataset. This study aimed to understand how the different sample processing methods influence the resulting FTICR-MS dataset. Any published work that utilizes data presented in this dataset should cite the dataset using the DOI number. If using the dataset, please acknowledge the U.S. Department of Energy (DOE) Office of Science (BER) Subsurface Biogeochemical Research (SBR) program, the Environmental Molecular Sciences Laboratory (EMSL), and Worldwide Hydrobiogeochemical Observation Network for Dynamic River Systems (WHONDRS). The publication DOI will be added to this abstract when available.

2018年夏季，研究人员于美国科罗拉多州克雷斯特德比特（Crested Butte）的东河A曲流周边分散点位采集了地表水与孔隙水样品。本数据集采用12特斯拉傅里叶变换离子回旋共振质谱（Fourier Transform Ion Cyclotron Resonance Mass Spectrometry, FTICR-MS）对溶解有机质进行表征，相关数据以.xml格式存储，由环境分子科学实验室（Environmental Molecular Sciences Laboratory, EMSL；https://www.pnnl.gov/environmental-molecular-sciences-laboratory）完成分析。分析过程中采用了两种样品前处理方法（固相萃取、无固相萃取）与两种电喷雾电离模式（正模式电喷雾电离、负模式电喷雾电离），以探究实验操作选择对最终数据集的影响。本研究旨在明晰不同样品处理方法如何影响FTICR-MS分析得到的数据集。任何利用本数据集发表成果的工作，均需通过DOI编号引用本数据集。若使用该数据集，请致谢美国能源部（U.S. Department of Energy, DOE）科学局生物与环境研究办公室（BER）地下生物地球化学研究（Subsurface Biogeochemical Research, SBR）项目、环境分子科学实验室（EMSL）以及动态河流系统全球水生生物地球化学观测网络（Worldwide Hydrobiogeochemical Observation Network for Dynamic River Systems, WHONDRS）。相关发表成果的DOI将在可获取后补充至本说明中。