The automated synthesis of small organic molecules from modular building blocks has the potential to transform our capacity to create medicines and materials^1,2,3. Disruptive acceleration of this molecule-building strategy broadly unlocks its functional potential and requires the integration of many new assembly chemistries. Although recent advances in high-throughput chemistry^4,5,6 can speed up the development of appropriate synthetic methods, for example, in selecting appropriate chemical reaction conditions from the vast range of potential options, equivalent high-throughput analytical methods are needed. Here we report a streamlined approach for the rapid, quantitative analysis of chemical reactions by mass spectrometry. The intrinsic fragmentation features of chemical building blocks generalize the analyses of chemical reactions, allowing sub-second readouts of reaction outcomes. Central to this advance was identifying that starting material fragmentation patterns function as universal barcodes for downstream product analysis by mass spectrometry. Combining these features with acoustic droplet ejection mass spectrometry^7,8 we could eliminate slow chromatographic steps and continuously evaluate chemical reactions in multiplexed formats. This enabled the assignment of reaction conditions to molecules derived from ultrahigh-throughput chemical synthesis experiments. More generally, these results indicate that fragmentation features inherent to chemical synthesis can empower rapid data-rich experimentation.

从模块化构建块自动合成有机小分子有可能改变我们创造药物和材料的能力^1,2,3。这种分子构建策略的颠覆性加速广泛释放了其功能潜力，并需要整合许多新的组装化学。尽管高通量化学^{的最新进展 4,5,6} 可以加快适当合成方法的开发，例如，在从大量潜在选项中选择合适的化学反应条件时，需要等效的高通量分析方法。在这里，我们报告了一种通过质谱法快速、定量分析化学反应的简化方法。化学构建单元的固有碎裂特征概括了化学反应的分析，允许亚秒级读取反应结果。这一进展的核心是确定起始材料碎裂模式可作为质谱分析下游产品的通用条形码。将这些功能与声波液滴喷射质谱^7,8 相结合，我们可以消除缓慢的色谱步骤，并以多重形式连续评估化学反应。这使得能够为来自超高通量化学合成实验的分子分配反应条件。更一般地说，这些结果表明，化学合成固有的碎裂特征可以促进快速数据丰富的实验。