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Degrees of freedom effect on fragmentation in tandem mass spectrometry of singly charged supramolecular aggregates of sodium sulfonates

机译:自由度对串联充电的磺酸钠超分子聚集体质谱碎片化的影响

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The characteristic collision energy (CCE) to obtain 50% fragmentation of positively and negatively single charged noncovalent clusters has been measured. CCE was found to increase linearly with the degrees of freedom (DoF) of the precursor ion, analogously to that observed for synthetic polymers. This suggests that fragmentation behavior (e.g. energy randomization) in covalent molecules and clusters are similar. Analysis of the slope of CCE with molecular size (DoF) indicates that activation energy of fragmentation of these clusters (loss of a monomer unit) is similar to that of the lowest energy fragmentation of protonated leucine-enkephalin. Positively and negatively charged aggregates behave similarly, but the slope of the CCE versus DoF plot is steeper for positive ions, suggesting that these are more stable than their negative counterparts.
机译:已经测量了获得正负单电荷非共价簇的50%碎片的特征碰撞能(CCE)。发现CCE随前体离子的自由度(DoF)线性增加,类似于合成聚合物所观察到的。这表明共价分子和簇中的断裂行为(例如能量随机化)相似。 CCE的分子大小(DoF)斜率分析表明,这些簇的断裂活化能(单体单元的损失)与质子化亮氨酸-脑啡肽最低能级的断裂能相似。带正电和带负电的聚集体的行为类似,但是对于正离子,CCE与DoF曲线的斜率更陡,这表明它们比负离子更稳定。

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