Use of electrospray ionization ion-trap tandem mass spectrometry and principal component analysis to directly distinguish monosaccharides
Use of electrospray ionization ion-trap tandem mass spectrometry and principal component analysis to directly distinguish monosaccharides
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利用电喷雾电离离子阱串联质谱和主成分分析直接区分单糖
DOI：
10.1002/rcm.6219
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发表时间：
2012-06-15
影响因子：
2
通讯作者：
Ding, Lisheng
中科院分区：
文献类型：
--
作者：
Xia, Bing;Zhou, Yan;Ding, Lisheng
原理碳水化合物是药物的良好来源，在生物体的代谢过程和细胞相互作用中发挥着重要作用。糖衍生物中单糖异构体的鉴别是糖研究中的一项重要而基础的工作。重要的是开发一种快速，简单，直接的方法，为此目的，这是在这项研究中描述。方法在水/甲醇（50：50，v/v）中制备浓度为400 μ M的单糖和浓度为10 μ M的氯化钠储备液。样品进行电喷雾离子阱串联质谱（ESI-MS）和检测的[2 M+？Na H2O]+离子通过串联质谱法（MS/MS）进一步研究，然后对获得的MS/MS数据集应用主成分分析（PCA）。结果[2 M+？Na H2O]+离子m/z 365（己糖）和m/z 305（戊糖）产生明确的碎片模式，而鼠李糖可以通过其ESI-MS [M？+？Na]+离子，m/z 187。PCA显示从不同实验获得的相同单糖样品的MS/MS数据的聚类。应用该方法成功地鉴定了胡萝卜苷水解液中的单糖。结论建立了ESI-MS/MS和PCA鉴别单糖的新方法。在MS/MS谱图中，[2 M+？Na H2O]+离子产生了明确的区别。应用存档MS/MS数据集的PCA来证明所研究样品的空间分辨率。该方法为ESI-MS/MS鉴别单糖提供了一种简单可靠的方法。Copyright（C）2012 John Wiley & Sons，Ltd.
RATIONALE Carbohydrates are good source of drugs and play important roles in metabolism processes and cellular interactions in organisms. Distinguishing monosaccharide isomers in saccharide derivates is an important and elementary work in investigating saccharides. It is important to develop a fast, simple and direct method for this purpose, which is described in this study. METHODS Stock solutions of monosaccharide with a concentration of 400 mu M and sodium chloride at a concentration of 10 mu M were made in water/methanol (50:50, v/v). The samples were subjected to electrospray ionization ion-trap tandem mass spectrometry (ESI-MS) and the detected [2M?+?Na H2O]+ ions were further investigated by tandem mass spectrometry (MS/MS), followed by applying principal component analysis (PCA) on the obtained MS/MS data sets. RESULTS The MS/MS spectra of the [2M?+?Na H2O]+ ions at m/z 365 for hexoses and m/z 305 for pentoses yielded unambiguous fragment patterns, while rhamnose can be directly identified by its ESI-MS [M?+?Na]+ ion at m/z 187. PCA showed clustering of MS/MS data of identical monosaccharide samples obtained from different experiments. By using this method, the monosaccharide in daucosterol hydrolysate was successfully identified. CONCLUSIONS A new strategy was developed for differentiation of the monosaccharides using ESI-MS/MS and PCA. In MS/MS spectra, the [2M?+?Na H2O]+ ions yielded unambiguous distinction. PCA of the archived MS/MS data sets was applied to demonstrate the spatial resolution of the studied samples. This method presented a simple and reliable way for distinguishing monosaccharides by ESI-MS/MS. Copyright (C) 2012 John Wiley & Sons, Ltd.