Pozo Oscar J, Van Eenoo Peter, Deventer Koen, Grimalt Susana, Sancho Juan V, Hernández Félix, Delbeke Frans T
DoCoLab, UGent, Department of Clinical Chemistry, Microbiology and Immunology, Technologiepark 30, B-9052 Zwijnaarde, Belgium.
Rapid Commun Mass Spectrom. 2008 Dec;22(24):4009-24. doi: 10.1002/rcm.3823.
The collision-induced dissociation of forty-one 3-keto anabolic steroids and related compounds has been studied using both triple quadrupole (QqQ) and hybrid quadrupole-time of flight (QTOF) instruments. Due to the complexity of the product ion spectra of these analytes, which generate a large number of ions, only two specific regions were studied in depth: the product ions near the precursor ion (m/z > or =M-100) and the most abundant product ions at a collision energy of 30 eV. Accurate mass measurements were used in order to obtain an unequivocal assignment of the empirical formula and the origin of each selected product ion. Analytes have been divided into eight groups according to the number and position of double bonds and the presence of functional groups such as hydroxyl- or nitrogen-containing rings. A correlation between the steroid structure and the product ions obtained has been postulated. The application of these correlations can be useful in the elucidation of feasible structures for unknown steroids and/or their metabolites.
使用三重四极杆（QqQ）和混合四极杆-飞行时间（QTOF）仪器研究了41种3-酮类合成代谢类固醇及相关化合物的碰撞诱导解离。由于这些分析物的产物离子光谱复杂，会产生大量离子，因此仅深入研究了两个特定区域：前体离子附近的产物离子（m/z≥M-100）以及碰撞能量为30 eV时最丰富的产物离子。使用精确质量测量以明确确定每个选定产物离子的经验式和来源。根据双键的数量和位置以及含羟基或含氮环等官能团的存在，将分析物分为八组。已推测出类固醇结构与所得产物离子之间的相关性。这些相关性的应用有助于阐明未知类固醇和/或其代谢物的可能结构。
