15N-cholamine--a smart isotope tag for combining NMR- and MS-based metabolite profiling.

15N-cholamine--a smart isotope tag for combining NMR- and MS-based metabolite profiling.
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DOI:
10.1021/ac401712a
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发表时间:
2013-09-17
影响因子:
7.4
通讯作者:
Raftery, Daniel
Raftery, Daniel
中科院分区:
化学1区
文献类型:
--
作者:
Tayyari, Fariba;Gowda, G. A. Nagana;Gu, Haiwei;Raftery, Daniel

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最近,化学选择性同位素标签提供的增强的分辨率和灵敏度使得使用核磁共振(NMR)光谱或质谱检测生物流体中数百种可量化代谢物的新的和增强的方法成为可能。然而,无法使用两种互补的分析技术有效检测相同的代谢物,阻碍了从两个强大平台获得的数据的相关性,从而阻碍了它们在未知代谢物识别的生物标志物发现等应用中的综合优势的最大化。为了缓解这一瓶颈,我们描述了一种智能同位素标签 15N-cholamine,它具有两个重要特性:NMR 敏感同位素和 MS 灵敏度的永久电荷。使用该标签,我们演示了人血清和尿液中含羧基代谢物的检测。通过结合 15N 标签和永久电荷的各自优势,智能同位素标签有助于通过两种分析方法有效检测含羧基的代谢组。这项研究展示了一种在代谢组学领域综合利用 MS 和 NMR 优势的独特方法。
Recently, the enhanced resolution and sensitivity offered by chemoselective isotope tags have enabled new and enhanced methods for detecting hundreds of quantifiable metabolites in biofluids using nuclear magnetic resonance (NMR) spectroscopy or mass spectrometry. However, the inability to effectively detect the same metabolites using both complementary analytical techniques has hindered the correlation of data derived from the two powerful platforms and thereby the maximization of their combined strengths for applications such as biomarker discovery of the identification of unknown metabolites. With the goal of alleviating this bottleneck, we describe a smart isotope tag, 15N-cholamine, which possesses two important properties: an NMR sensitive isotope, and a permanent charge for MS sensitivity. Using this tag, we demonstrate the detection of carboxyl group containing metabolites in both human serum and urine. By combining the individual strengths of the 15N label and permanent charge, the smart isotope tag facilitates effective detection of the carboxyl-containing metabolome by both analytical methods. This study demonstrates a unique approach to exploit the combined strength of MS and NMR in the field of metabolomics.
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