UPLC/MSE;: a new approach for generating molecular fragment information for biomarker structure elucidation
UPLC/MSE;: a new approach for generating molecular fragment information for biomarker structure elucidation
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DOI：
10.1002/rcm.2550
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发表时间：
2006-01-01
影响因子：
2
通讯作者：
Nicholson, Jeremy K.
中科院分区：
文献类型：
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作者：
Plumb, Robert S.;Johnson, Kelly A.;Nicholson, Jeremy K.
提出了一种在液相色谱/质谱（LC/MS）研究复杂混合物中小分子的裂解信息的新方法，即在高碰撞能和低碰撞能下同时获得精确质量。LC/MS-TOF和LC/MS/MS-TOF是分析复杂混合物的强大工具，特别是那些允许阐明元素组成和碎片信息的生物流体。在该实施例中，使用这种新方法研究了大鼠尿液的组成，允许在一次分析运行中通过同时采集精确的质量前体和碎片离子数据来确认几种内源性组分的结构。使用这种新方法获得的光谱数据与通过常规LC/MS/MS获得的光谱数据相当，如通过鉴定大鼠尿液中存在的内源性代谢物所示。版权所有（c）2006约翰威利父子有限公司。
A new approach to obtain fragmentation information in liquid chromatography/mass spectrometry (LC/MS) studies of small molecules in complex mixtures is presented using simultaneous acquisition of exact mass at high and low collision energy, MSE. LC/MS-TOF and LC/MS/MS-TOF are powerful tools for the analysis of complex mixtures, especially those for biological fluids allowing the elucidation of elemental composition and fragmentation information. In this example the composition of rat urine was studied using this new approach, allowing the structures of several endogenous components to be confirmed in one analytical run by the simultaneous acquisition of exact mass precursor and fragment ion data. The spectral data obtained using this new approach are comparable to those obtained by conventional LC/MS/MS as exemplified by the identification of endogenous metabolites present in rat urine. Copyright (c) 2006 John Wiley & Sons, Ltd.