Ducati Anita O, Ruskic David, Sosnowski Piotr, Baba Takashi, Bonner Ron, Hopfgartner Gérard
Life Sciences Mass Spectrometry, Department of Inorganic and Analytical Chemistry, University of Geneva, 24 Quai Ernest Ansermet, CH, 1211, Geneva 4, Switzerland.
Sciex, Concord, ON, Canada.
Anal Chim Acta. 2021 Mar 15;1150:338207. doi: 10.1016/j.aca.2021.338207. Epub 2021 Jan 18.
Using a chimeric collision cell mounted on a quadrupole time-of-flight platform, collision induced dissociation (CID) and electron induced dissociation (EID) were investigated for the LC-MS analysis of low molecular weight compounds including drugs and endogenous metabolites. Compared to CID, EID fragmentation of the [M+H] species (10-20 eV) from standard compounds resulted in additional specific and informative fragments, mostly due to neutral losses and, in some cases due to ring openings. Some analytes, for example reserpine and vinpocetine, provided characteristic [M+H] species. For most analytes for sodium and potassium adducts and multimers a radical cation M and electron impact type fragments were observed in the EID spectra, providing the opportunity to use EI libraries to support metabolite identification. EID opens the possibility to get structural information from adduct ions which is often not the case with CID. EID enabled the putative characterization of two metabolites in rat urine as glucuronides of 5,6-dihydroxyindole based on EID fragmentation of the potassium adducts.
使用安装在四极杆飞行时间平台上的嵌合式碰撞池，对包括药物和内源性代谢物在内的低分子量化合物进行液相色谱-质谱分析时，研究了碰撞诱导解离（CID）和电子诱导解离（EID）。与CID相比，标准化合物的[M+H]物种（10-20 eV）的EID碎片化产生了额外的特异性和信息丰富的碎片，主要是由于中性丢失，在某些情况下是由于开环。一些分析物，例如利血平和长春西汀，提供了特征性的[M+H]物种。对于大多数钠和钾加合物及多聚体的分析物，在EID光谱中观察到了自由基阳离子M和电子碰撞类型的碎片，这为使用EI库支持代谢物鉴定提供了机会。EID开启了从加合离子获取结构信息的可能性，而CID通常无法做到这一点。基于钾加合物的EID碎片化，EID能够初步鉴定大鼠尿液中的两种代谢物为5,6-二羟基吲哚的葡萄糖醛酸苷。
