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Dissociation Pathways of Singly Charged Dilithiated Peptides

机译:单电荷弥座肽的解离途径

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The Li+ complexes of lithium carboxylate salts of peptides (dilithiated peptides) are readily formed in ESI and MALDI mass spectrometry experiments by mixing the appropriate peptide solution with a solution of lithium hydroxide or lithium trifluoroacetate. Upon collisionally activated dissociation (CAD), the [Pep -^sH + 2Li]+ ions yield homologous series of y**, c**, and a* fragments, which allow one to conclusively determine the peptide sequence (the asterisks give the number of Li ions in the fragment). The present study combines density functional theory (DFT) with CAD experiments on a variety of peptides to elucidate the formation mechanisms of the aforementioned backbone fragments.
机译:通过将适当的肽溶液与氢氧化锂或三氟乙酸锂溶液混合,在ESI和MALDI质谱实验中容易地形成肽碳酸锂盐的Li +复合物。受焦炭激活的解离(CAD)时,[PEP - ^ SH + 2LI] +离子产生y **,c **和a *片段的同源系列,其允许一个人确定肽序列(星号给出片段中的锂离子数量)。本研究将密度函数理论(DFT)与CAD实验结合在各种肽上以阐明上述骨干碎片的形成机制。

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