Does the mass spectrometer define the marker? A comparison of global metabolite profiling data generated simultaneously via UPLC-MS on two different mass spectrometers.
Does the mass spectrometer define the marker? A comparison of global metabolite profiling data generated simultaneously via UPLC-MS on two different mass spectrometers.
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DOI：
10.1021/ac1016612
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发表时间：
2010-10-01
影响因子：
7.4
通讯作者：
Wilson, Ian D.
中科院分区：
文献类型：
--
作者：
Gika, Helen G.;Theodoridis, Georgios A.;Earll, Mark;Snyder, Rodney W.;Sumner, Susan J.;Wilson, Ian D.
通过将单一UPLC分离与两种不同类型的质谱仪耦合，获得了每种仪器对一组大鼠尿液样品产生的代谢物谱的无偏比较。从UPLC柱流出的液流被均匀地分开，两股洗脱液流同时被引导到两台质谱仪的入口。使用三重四极线性离子阱和混合四极飞行时间质谱仪对洗脱液进行质谱分析，使用正负ESI。在使用相同的数据提取软件后，对两台质谱仪的数据进行多元统计分析，并使用非监督和监督统计分析方法显示样品之间相同的总体相关性模式。基于正交偏最小二乘判别分析模型，许多离子被认为是导致动物群体分离的“原因”。从检测到的峰，并通过统计分析表示为显著，发现许多离子对一个数据集或另一个数据集是唯一的，这一结果可能对生物标志物发现和实验室间比较产生影响。用于数据分析的软件包对统计分析的结果也有影响。
By coupling a single UPLC separation to two different types of mass spectrometer an unbiased comparison of the metabolite profiles produced by each instrument for a set of rat urine samples was obtained. The flow from the UPLC column was split equally and both streams of eluent were simultaneously directed to the inlets of the two mass spectrometers. Mass spectrometry on the eluent was undertaken using a triple quadrupole linear ion trap and a hybrid quadrupole time of flight mass spectrometer using both positive and negative ESI. Data from both mass spectrometers were subjected to multivariate statistical analysis, after applying the same data extraction software, and showed the same general pattern of correlation between the samples using both unsupervised and supervised methods of statistical analysis. Based on orthogonal partial least square discriminant analysis models a number of ions were recognized as “responsible” for the separation of the animal groups. From the peaks detected, and denoted as significant by the statistical analysis a number of ions were found to be unique to one dataset or the other, a result which may have consequences for biomarker discovery and inter-laboratory comparisons. The software package used for data analysis also had an effect on the outcome of the statistical analysis.
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影响因子：
7.4
作者：
Ipsen, Andreas;Want, Elizabeth J.;Lindon, John C.;Ebbels, Timothy M. D.
通讯作者：
Ebbels, Timothy M. D.
影响因子：
7.4
作者：
Shen, YF;Zhang, R;Smith, RD
通讯作者：
Smith, RD
影响因子：
--
作者：
Williams, RE;Lenz, EM;Wilson, ID
通讯作者：
Wilson, ID
影响因子：
3.6
作者：
Sumner, Susan J.;Burgess, Jason P.;Snyder, Rodney W.;Popp, James A.;Fennell, Timothy R.
通讯作者：
Fennell, Timothy R.
DOI：
10.1016/j.jchromb.2008.12.001
发表时间：
2009-05-01
影响因子：
3
作者：
Pandher, R.;Ducruix, C.;Raynaud, F. I.
通讯作者：
Raynaud, F. I.