Departamento de Ciencias Químicas, Facultad de Estudios Superiores Cuautitlán-UNAM, Estado de México, México.
Rapid Commun Mass Spectrom. 2013 Jul 15;27(13):1573-8. doi: 10.1002/rcm.6604.
Fast atom bombardment (FAB) ionization is a valuable tool for analyzing non-volatile or thermally labile compounds when harder ionization methods (EI or CI) have been unsuccessful. Unexpected interactions between matrix and analyte may, however, occur in FAB ionization leading to the formation of artifacts whose structures have to be determined.
We used esters synthesized by our research group following green chemistry protocols. Artifacts relating to the target molecules were produced in the solvent cage using positive ion FAB using thioglycerol as the matrix and analyzed by accurate mass measurement.
Through interactions between thioglycerol and the boron atom, various adducts associated with boron-containing Hantzsch and Biginelli ester derivatives appeared in the FAB mass spectra. These interactions must arise in a solvent cage involving a Lewis acid-base bond. Accurate mass determinations of these adducts confirmed the presence of the target molecules.
Interactions between the thioglycerol matrix and the eleven boron-containing Hantzsch and Biginelli ester derivatives in addition to the three reagents were seen in their FAB(+) spectra. These interactions, together with their accurate mass determinations, allowed us to determine the structures of the new molecules.
当较难的电离方法（EI 或 CI）不成功时，快速原子轰击（FAB）电离是分析非挥发性或热不稳定化合物的一种有价值的工具。然而，在 FAB 电离中，基质和分析物之间可能会发生意想不到的相互作用，导致形成必须确定其结构的伪影。
我们使用我们的研究小组按照绿色化学方案合成的酯。使用正离子 FAB 在溶剂笼中使用硫代甘油作为基质，对与靶分子有关的伪影进行分析，通过精确质量测量进行分析。
通过硫代甘油与硼原子之间的相互作用，在 FAB 质谱中出现了与含硼的 Hantzsch 和 Biginelli 酯衍生物相关的各种加合物。这些相互作用必须在涉及路易斯酸碱键的溶剂笼中发生。这些加合物的精确质量测定证实了靶分子的存在。
除了三种试剂之外，在 FAB(+)光谱中还观察到硫代甘油基质与 11 种含硼的 Hantzsch 和 Biginelli 酯衍生物之间的相互作用。这些相互作用及其精确质量测定使我们能够确定新分子的结构。
