Weidolf L, Castagnoli N
AstraZeneca R&D, S-431 83 Mölndal, Sweden.
Rapid Commun Mass Spectrom. 2001;15(4):283-90. doi: 10.1002/rcm.226.
A detailed analysis of the product ion spectrum generated from the protonated molecule under ESI-MS/MS conditions using a triple quadrupole mass spectrometer is reported for the gastrointestinal proton pump inhibitor Omeprazole. Unambiguous molecular composition data of the fragment ions were obtained with the aid of regioselectively 14C-, 34S- and 18O-labeled analogs. Attempts have been made to provide rational pathways for the formation of the fragment ions from four protonated omeprazole species. These results will facilitate the characterization of the complex metabolic fate of Omeprazole in humans, which involves the excretion of at least 50 metabolites.
报道了使用三重四极杆质谱仪在电喷雾串联质谱（ESI-MS/MS）条件下对胃肠道质子泵抑制剂奥美拉唑的质子化分子产生的产物离子光谱进行的详细分析。借助区域选择性14C、34S和18O标记的类似物，获得了碎片离子明确的分子组成数据。已尝试为四种质子化奥美拉唑物种形成碎片离子提供合理途径。这些结果将有助于表征奥美拉唑在人体内复杂的代谢命运，其中涉及至少50种代谢物的排泄。
