High‐resolution mass spectrometry (HRMS) has become a vital tool for dissolved organic matter (DOM) characterization. The upward trend in HRMS analysis of DOM presents challenges in data comparison and interpretation among laboratories operating instruments with differing performance and user operating conditions. It is therefore essential that the community establishes metric ranges and compositional trends for data comparison with reference samples so that data can be robustly compared among research groups. To this end, four identically prepared DOM samples were each measured by 16 laboratories, using 17 commercially purchased instruments, using positive‐ion and negative‐ion mode electrospray ionization (ESI) HRMS analyses. The instruments identified ~1000 common ions in both negative‐ and positive‐ion modes over a wide range of m /z values and chemical space, as determined by van Krevelen diagrams. Calculated metrics of abundance‐weighted average indices (H/C, O/C, aromaticity, and m /z ) of the commonly detected ions showed that hydrogen saturation and aromaticity were consistent for each reference sample across the instruments, while average mass and oxygenation were more affected by differences in instrument type and settings. In this paper we present 32 metric values for future benchmarking. The metric values were obtained for the four different parameters from four samples in two ionization modes and can be used in future work to evaluate the performance of HRMS instruments.

中文翻译：

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国际实验室通过高分辨率质谱法对溶解有机物成分的比较：我们得到的答案是一样的吗？

高分辨率质谱（HRMS）已成为表征溶解有机物（DOM）的重要工具。HRMS DOM分析的上升趋势在具有不同性能和用户操作条件的实验室操作仪器之间的数据比较和解释方面提出了挑战。因此，至关重要的是，社区必须建立度量范围和组成趋势，以便与参考样本进行数据比较，以便可以在研究组之间可靠地比较数据。为此，使用正离子和负离子模式电喷雾电离（ESI）HRMS分析，由16个实验室分别使用16个实验室测量了四个相同制备的DOM样品。仪器在大范围的负离子和正离子模式下识别出约1000种常见离子m / z值和化学空间，由van Krevelen图确定。常用检测到的离子的丰度加权平均指数（H / C，O / C，芳香度和m / z）的计算指标表明，仪器中每个参考样品的氢饱和度和芳香度均保持一致，而平均质量和氧合度受仪器类型和设置差异的影响更大。在本文中，我们提出了32个度量标准值，供将来进行基准测试。在两种电离模式下，从四个样品中获得了四个不同参数的度量值，可用于将来的工作中，以评估HRMS仪器的性能。