新型抗炎镇痛剂SFZ-47及其代谢物的电喷雾离子阱质谱研究

Studies on the Electrospray Ion Trap Mass Spectra of SFZ-47 and Its Metabolites for a Novel Anti-inflammatory and Analgesic Agent

用电喷雾离子阱质谱对警犬尿样中 SFZ-4 7[3H-1 ,2 -二氢 -2 -( 4-甲基苯胺基 )甲基 -1 -吡咯里嗪酮 ]及其4种代谢物进行了结构鉴定 ,利用质谱解析软件分析其裂解方式发现 ,它们在 ( +) ESI-MS2或 ( +) ESI-MS3质谱中分别生成 m/z 1 2 2和脱吡咯里嗪酮母核的碎片 ,并发现葡萄苷酸型代谢物易于生成脱水 ( 1 8u)和脱葡萄醛酸 ( 1 76u)的碎片离子 ,这些特征可用于 SFZ-4

To investigate the characteristics of mass spectra of 3H 1,2 dihydro 2 (4 methyl phenylamino)methyl 1 pyrrolizinone(SFZ 47), a novel anti inflammatory and analgesic agent, and its metabolites, urine samples, which were collected from healthy beagel dogs after a single dose of 200 mg SFZ 47 was taken, were analyzed using electrospray ion trap mass spectrometry in a multi stage MS full scan mode. The mass spectrometry was operated in the positive mode. The obtained mass spectra were analyzed by assisting with the software Mass Frontier 1.0 for their fragmentation pathways. Besides SFZ 47, four of its metabolites were identified in the urine by LC/MS. The full scan MS 2 or MS 3 spectra of each compound gave characteristic fragment ions of m/z 122 and depyrrolizinone respectively, whereas the ions of dehydration and neutral loss 176 u of two glucuronides were also found. These characteristics can be used for the future structure elucidation in metabolism of SFZ 47 and its analogues.