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首页> 外文期刊>Rapid Communications in Mass Spectrometry: RCM >Metabolism of cyadox in rat, chicken and pig liver microsomes and identification of metabolites by accurate mass measurements using electrospray ionization hybrid ion trap/time-of-flight mass spectrometry
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Metabolism of cyadox in rat, chicken and pig liver microsomes and identification of metabolites by accurate mass measurements using electrospray ionization hybrid ion trap/time-of-flight mass spectrometry

机译：利用电喷雾电离混合离子阱/飞行时间质谱仪通过精确的质量测量，对大鼠，鸡和猪肝微粒体中的cyadox进行代谢并鉴定代谢物

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摘要

Cyadox (CYX), (2-formylquinoxaline)-N-1,N-4-dioxide cyanoacetylhydrazone, is a growth promoter, which is more efficient and less toxic to animals. Few studies have been performed to reveal the metabolism of CYX in animals till now. In this study, the metabolic fate of CYX in the liver microsomes of animal was investigated firstly using high-performance liquid chromatography combined with hybrid ion trap/time-of-flight mass spectrometry. CYX was incubated with rat, chicken and pig liver microsomes in the presence of a NADPH-generating system. Multiple scans of metabolites in MS and MS2 modes and accurate mass measurements were performed simultaneously through data-dependent acquisition. Most measured mass errors were less than 10 ppm for both protonated molecules and fragment ions using external mass calibration. The structures of metabolites and their fragment ions were easily and reliably characterized based on the accurate MS2 spectra and known structure of CYX The relative biotransformation of CYX into characterized metabolites was estimated based on the UV absorption and the assumption that all metabolites had the same extinction coefficient as the parent compound at 305 nm. Totally, seven metabolites were identified as three reduced metabolites (cyadox 1-monoxide (Cy1), cyadox 4-monoxide (Cy2) and bisdesoxycyadox (Cy4)), three hydrolysis metabolites of the amide bond (N-decyanoacetyl cyadox (Cy5), N-decyanoacetyl cyadox 1-monoxide (Cy6) and N-decyanoacetyl bisdesoxycyadox (Cy7)) and a hydroxylation metabolite of Cy1 (Cy3). Cy1-Cy6 could be detected in rat, chicken and pig liver microsomes while metabolite Cy7 could only be observed in pig. The amounts of the metabolites in three species are different. For the formations of Cy1 and Cy3, the rank order was rat similar to chicken > pig. For Cy4 and Cy5, the order was pig > rat > chicken. Cy1 and Cy4 have been previously reported, whereas the other five metabolites were novel. The N -> O group reduction and hydroxylation were the main metabolic pathways for CYX in the three species.
机译：Cyadox（CYX），（2-甲酰基喹喔啉）-N-1，N-4-二氧化物氰基乙酰hydr是一种生长促进剂，对动物更有效且毒性更低。迄今为止，很少有研究揭示CYX在动物体内的代谢。在这项研究中，首先使用高效液相色谱法与混合离子阱/飞行时间质谱联用，研究了动物肝脏微粒体中CYX的代谢命运。 CYX在产生NADPH的系统中与大鼠，鸡和猪肝微粒体一起孵育。通过数据相关的采集，可以同时进行MS和MS2模式下代谢物的多次扫描以及准确的质量测量。使用外部质量校准，质子化分子和碎片离子的大多数测量质量误差均小于10 ppm。基于准确的MS2质谱图和已知的CYX结构，可以轻松，可靠地表征代谢物的结构及其碎片离子。基于紫外线吸收和所有代谢物具有相同消光系数的假设，可以估算出CYX转化为表征代谢物的相对生物转化在305nm处为母体化合物。总共有7种代谢物被鉴定为3种还原代谢物（cyadox 1-monoxide（Cy1），cyadox 4-monoxide（Cy2）和bisdesoxycyadox（Cy4）），3种酰胺键水解代谢物（N-decyanoacetyl cyadox（Cy5），N -一氰基氰基氰基1-一氧化物（Cy6）和N-一氰基乙酰基双脱氧氰基（Cy7））和Cy1（Cy3）的羟基化代谢产物在大鼠，鸡和猪的肝微粒体中可检测到Cy1-Cy6，而仅在猪中可检测到代谢产物Cy7。三个物种中代谢物的量不同。对于Cy1和Cy3的形成，等级顺序为大鼠，类似于鸡>猪。对于Cy4和Cy5，顺序为猪>大鼠>鸡。 Cy1和Cy4先前已有报道，而其他5种代谢产物是新颖的。 N-> O基团的还原和羟基化是这三个物种中CYX的主要代谢途径。

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