S42 | HDXNOEX | Hydrogen Deuterium Exchange (HDX) Standard Set

Environmental standard set used to investigate hydrogen deuterium exchange in small molecule HRMS (Ruttkies et al. 2019, DOI 10.1007/s00216-019-01885-0). The HDXEXCH list on CompTox also contains observed deuterated species. Dataset DOI: 10.5281/zenodo.2656724. This has a partner list of deuterated species (CompTox HDXEXCH List) associated with it that is not part of the NORMAN Suspect List Exchange (as these are not expected to occur in the environment). See related identifiers.本数据集采用的环境标准集用于探究小分子高分辨质谱（High Resolution Mass Spectrometry, HRMS）中的氢氘交换（Hydrogen Deuterium Exchange）过程，相关研究成果参见Ruttkies等（2019）发表的文献，DOI：10.1007/s00216-019-01885-0。CompTox数据库中的HDXEXCH列表同时收录了观测得到的氘代物种。本数据集的DOI为：10.5281/zenodo.2656724。 该数据集附带一份与之关联的氘代物种名录（CompTox HDXEXCH列表），该名录未纳入NORMAN可疑名录交换平台（NORMAN Suspect List Exchange）的收录范畴，因这类氘代物种预计不会在自然环境中被检出。相关标识符可参见对应关联项。