Williams Jonathan P, Nibbering Nico M M, Green Brian N, Patel Vibhuti J, Scrivens James H
Department of Biological Sciences, University of Warwick, Coventry, CV4 7AL, UK.
J Mass Spectrom. 2006 Oct;41(10):1277-86. doi: 10.1002/jms.1091.
The rapid desorption electrospray ionisation (DESI) of some small molecules and their fragmentation using a triple-quadrupole and a hybrid quadrupole time-of-flight mass spectrometer (Q-ToF) have been investigated. Various scanning modes have been employed using the triple-quadrupole instrument to elucidate fragmentation pathways for the product ions observed in the collision-induced dissociation (CID) spectra. Together with accurate mass tandem mass spectrometry (MS/MS) measurements performed on the hybrid Q-ToF mass spectrometer, unequivocal product ion identification and fragmentation pathways were determined for deprotonated metoclopramide and protonated aspirin, caffeine and nicotine. Ion structures and fragmentation pathway mechanisms have been proposed and compared with previously published data. The necessity for elevated resolution for the differentiation of isobaric ions are discussed.
研究了一些小分子的快速解吸电喷雾电离（DESI）及其使用三重四极杆和混合四极杆飞行时间质谱仪（Q-ToF）的碎裂情况。使用三重四极杆仪器采用了各种扫描模式，以阐明在碰撞诱导解离（CID）光谱中观察到的产物离子的碎裂途径。结合在混合Q-ToF质谱仪上进行的精确质量串联质谱（MS/MS）测量，确定了去质子化甲氧氯普胺和质子化阿司匹林、咖啡因及尼古丁明确的产物离子鉴定结果和碎裂途径。提出了离子结构和碎裂途径机制，并与先前发表的数据进行了比较。讨论了区分等压离子所需的高分辨率。
