Strano-Rossi Sabina, Colamonici Cristiana, Botrè Francesco
Laboratorio Antidoping, Federazione Medico Sportiva Italiana, Largo Giulio Onesti 1, 00197 Rome RM, Italy.
Rapid Commun Mass Spectrom. 2007;21(2):79-88. doi: 10.1002/rcm.2807.
A gas chromatographic/mass spectrometric (GC/MS) study aimed at identifying the metabolites of sibutramine (1-(4-chlorophenyl)-N,N-dimethyl-alpha-(2-methylpropyl)cyclobutanemethanamine) in urine is described. Urinary excretion of sibutramine metabolites following the oral administration of a single dose of sibutramine was followed by GC/MS analysis. After identification of the chromatographic signals corresponding to the six main urinary metabolites, the fragmentation pattern was studied in electron ionization (EI) mode after derivatization to the corresponding methyl and trimethylsilyl derivatives. Urine samples were pretreated according to a reference procedure (liquid/liquid separation, enzymatic hydrolysis, pre-concentration under a stream of nitrogen and derivatization, either under thermal incubation and by microwave irradiation). All sibutramine metabolites were excreted as glucuroconjugates, and retain the chiral carbon present in the sibutramine skeleton. The metabolites identified included mono-desmethylsibutramine (nor-sibutramine), bi-desmethylsibutramine (nor-nor-sibutramine), and the corresponding hydroxylated compounds, the hydroxylation taking place either on the cyclobutane or on the isopropyl chain. The excretion profiles of the different metabolites were also evaluated. From an analytical point of view, the method can be applied to different fields of forensic analytical toxicology, including anti-doping analysis. Although the lack of certified reference materials does not allow a precise determination of the limits of detection (LODs) of all the sibutramine metabolites, an estimation taking into account the response factor of similar compounds ensures that all metabolites are still clearly detectable in a range of concentrations between 10 and 50 ng/mL, thus satisfying the minimum required performance limits (MRPLs) of the World Anti-Doping Agency (WADA).
本文描述了一项旨在鉴定尿液中西布曲明(1-(4-氯苯基)-N,N-二甲基-α-(2-甲基丙基)环丁烷甲胺)代谢物的气相色谱/质谱(GC/MS)研究。单次口服西布曲明后,通过GC/MS分析追踪其代谢物的尿排泄情况。在鉴定出与六种主要尿代谢物相对应的色谱信号后,将其衍生为相应的甲基和三甲基硅烷基衍生物,然后在电子电离(EI)模式下研究其碎裂模式。尿液样本按照参考程序进行预处理(液/液分离、酶水解、氮气气流下预浓缩和衍生化,可通过热孵育或微波辐射进行)。所有西布曲明代谢物均以葡萄糖醛酸结合物形式排泄,并保留西布曲明骨架中存在的手性碳。鉴定出的代谢物包括单去甲基西布曲明(去甲西布曲明)、双去甲基西布曲明(去甲去甲西布曲明)以及相应的羟基化化合物,羟基化发生在环丁烷或异丙基链上。还评估了不同代谢物的排泄情况。从分析角度来看,该方法可应用于法医分析毒理学的不同领域,包括反兴奋剂分析。尽管缺乏认证参考物质无法精确测定所有西布曲明代谢物的检测限(LOD),但考虑到类似化合物的响应因子进行的估计确保了所有代谢物在10至50 ng/mL的浓度范围内仍能清晰检测到,从而满足世界反兴奋剂机构(WADA)的最低要求性能限(MRPL)。