Annotation of LC/ESI-MS Mass Signals
Annotation of LC/ESI-MS Mass Signals
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LC/ESI-MS 质量信号的注释
DOI：
10.1007/978-3-540-71233-6_29
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发表时间：
2007
影响因子：
3.4
通讯作者：
S. Neumann
中科院分区：
文献类型：
--
作者：
Ralf Tautenhahn;C. Böttcher;S. Neumann
质谱是代谢组学新兴领域的主力技术。质量信号的识别仍然是非靶向方法的最大瓶颈：由于分析方法，复杂混合物中的每种代谢物都会产生许多质量信号。与GC/MS测量相反，对于ESI-MS等软电离方法，没有广泛的参考光谱库或已建立的去卷积方法。我们提出了一套注释方法，其目的是从一个单一的代谢物测量质量信号分组在一起，基于质量差异和峰形比较的规则。
Mass spectrometry is the work-horse technology of the emerging field of metabolomics. The identification of mass signals remains the largest bottleneck for a non-targeted approach: due to the analytical method, each metabolite in a complex mixture will give rise to a number of mass signals. In contrast to GC/MS measurements, for soft ionisation methods such as ESI-MS there are no extensive libraries of reference spectra or established deconvolution methods. We present a set of annotation methods which aim to group together mass signals measured from a single metabolite, based on rules for mass differences and peak shape comparison.
影响因子：
7.4
作者：
Smith, CA;Want, EJ;Siuzdak, G
通讯作者：
Siuzdak, G