Ion mobility-derived collision cross section as an additional measure for lipid fingerprinting and identification.
Ion mobility-derived collision cross section as an additional measure for lipid fingerprinting and identification.
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DOI：
10.1021/ac503715v
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发表时间：
2015-01-20
影响因子：
7.4
通讯作者：
Astarite, Giuseppe
中科院分区：
文献类型：
--
作者：
Paglia, Giuseppe;Angel, Peggi;Williams, Jonathan P.;Richardson, Keith;Olivos, Hernando J.;Thompson, J. Will;Menikarachchi, Lochana;Lai, Steven;Walsh, Callee;Moseley, Arthur;Plumb, Robert S.;Grant, David F.;Palsson, Bernhard O.;Langridge, James;Geromanos, Scott;Astarite, Giuseppe
尽管最近在分析和计算化学方面取得了进展，但脂质鉴定仍然是脂质组学中的一个重大挑战。离子迁移率光谱法提供了一个精确的测量分子的旋转平均碰撞截面（CCS）在气相中，因此与离子的形状。在这里，我们研究使用CCS作为一个高度特异性的分子描述符，用于识别生物样品中的脂质。使用行波离子迁移质谱法（MS），我们测量了多个化学类别中超过200种脂质的CCS值。由离子迁移率得出的CCS值不受仪器设置或色谱条件的影响，并且在独立实验室的仪器上具有高度重现性（98%分子的实验室间RSD < 3%）。CCS值被用作额外的分子描述符，以使用各种传统的脂质组学方法鉴定脑脂质。CCS的添加改善了液相色谱-MS工作流程中分析的再现性，并使同量异位物质的分离和直接MS分析中的信噪比最大化（例如，“鸟枪”脂质组学和MS成像）。这些结果表明，将CCS添加到数据库和脂质组学工作流程中增加了分析的特异性和选择性，从而与传统分析方法相比提高了脂质鉴定的置信度。此处描述的CCS/精确质量数据库是公开提供的。
Despite recent advances in analytical and computational chemistry, lipid identification remains a significant challenge in lipidomics. Ion-mobility spectrometry provides an accurate measure of the molecules’ rotationally averaged collision cross-section (CCS) in the gas phase and is thus related to ionic shape. Here, we investigate the use of CCS as a highly specific molecular descriptor for identifying lipids in biological samples. Using traveling wave ion mobility mass spectrometry (MS), we measured the CCS values of over 200 lipids within multiple chemical classes. CCS values derived from ion mobility were not affected by instrument settings or chromatographic conditions, and they were highly reproducible on instruments located in independent laboratories (interlaboratory RSD < 3% for 98% of molecules). CCS values were used as additional molecular descriptors to identify brain lipids using a variety of traditional lipidomic approaches. The addition of CCS improved the reproducibility of analysis in a liquid chromatography-MS workflow and maximized the separation of isobaric species and the signal-to-noise ratio in direct-MS analyses (e.g., “shotgun” lipidomics and MS imaging). These results indicate that adding CCS to databases and lipidomics workflows increases the specificity and selectivity of analysis, thus improving the confidence in lipid identification compared to traditional analytical approaches. The CCS/accurate-mass database described here is made publicly available.
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影响因子：
7.4
作者：
Kim, Hugh I.;Kim, Hyungjun;Pang, Eric S.;Ryu, Ernest K.;Beegle, Luther W.;Loo, Joseph A.;Goddard, William A.;Kanik, Isik
通讯作者：
Kanik, Isik
影响因子：
2
作者：
Dear, Gordon J.;Munoz-Muriedas, Jordi;Campuzano, Iain
通讯作者：
Campuzano, Iain
影响因子：
7.4
作者：
Kaplan, Kimberly;Dwivedi, Prabha;Hill, Herbert H., Jr.
通讯作者：
Hill, Herbert H., Jr.
影响因子：
2.3
作者：
Fasciotti, Maira;Sanvido, Gustavo B.;Eberlin, Marcos N.
通讯作者：
Eberlin, Marcos N.
DOI：
10.1007/978-1-60761-746-4_12
发表时间：
2010-01-01
期刊：
MASS SPECTROMETRY IMAGING: PRINCIPLES AND PROTOCOLS
影响因子：
--
作者：
Garrett, Timothy J.;Yost, Richard A.
通讯作者：
Yost, Richard A.