Determination of Ion Structures in Structurally Related Compounds Using Precursor Ion Fingerprinting
Determination of Ion Structures in Structurally Related Compounds Using Precursor Ion Fingerprinting
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DOI：
10.1016/j.jasms.2008.10.017
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发表时间：
2009-03-01
影响因子：
3.2
通讯作者：
Croley, Timothy R.
中科院分区：
文献类型：
--
作者：
Sheldon, Michelle T.;Mistrik, Robert;Croley, Timothy R.
结构相关的生物碱进行了分析，通过电喷雾电离/多级质谱（ESI/MSn）在不同的碰撞能量，以证明一个概念性的算法，前体离子指纹（PIF）。PIF是一种基于结构相关化合物的前体离子及其匹配的产物离子谱来解释和库搜索ESI质谱的新方法。将多级质谱编译并构建成“谱树”，其说明化合物在其各自的质谱级中的产物离子谱。这些生物碱的前体离子的特点和他们的光谱树纳入MSn库。这些数据将用于构建一个通用的，可搜索的，可转移的MSn谱库。此外，PIF将利用先前表征的离子结构生成拟议的结构排列，这将有助于识别未知化合物。（J Am Soc Mass Spectrom 2009，20，370-376）（C）2009年美国质谱学会
Structurally-related alkaloids were analyzed by electrospray ionization/multiple stage mass spectrometry (ESI/MSn) at varying collision energies to demonstrate a conceptual algorithm, precursor ion fingerprinting (PIF). PIF is a new approach for interpreting and library-searching ESI mass spectra predicated on the precursor ions of structurally-related compounds and their matching product ion spectra. Multiple-stage mass spectra were compiled and constructed into "spectral trees" that illustrated the compounds' product ion spectra in their respective mass spectral stages. The precursor ions of these alkaloids were characterized and their spectral trees incorporated into an MSn library. These data will be used to construct a universal, searchable, and transferable library of MSn spectra. In addition, PIF will generate a proposed structural arrangement utilizing previously characterized ion structures, which will assist in the identification of unknown compounds. (J Am Soc Mass Spectrom 2009, 20, 370-376) (C) 2009 American Society for Mass Spectrometry