An Interlaboratory Evaluation of Drift Tube Ion Mobility-Mass Spectrometry Collision Cross Section Measurements.

An Interlaboratory Evaluation of Drift Tube Ion Mobility-Mass Spectrometry Collision Cross Section Measurements.
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DOI:
10.1021/acs.analchem.7b01729
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发表时间:
2017-09-05
影响因子:
7.4
通讯作者:
Fjeldsted JC
Fjeldsted JC
中科院分区:
化学1区
文献类型:
--
作者:
Stow SM;Causon TJ;Zheng X;Kurulugama RT;Mairinger T;May JC;Rennie EE;Baker ES;Smith RD;McLean JA;Hann S;Fjeldsted JC

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由离子迁移率-质谱仪(IM-MS)实验得到的碰撞截面(CCS)测量为基于MS的分析分离提供了一个有希望的结构信息的正交维。与任何分子识别器一样,实验室间标准化必须先于大范围整合到分析工作流程中。在这项研究中,我们提出了一种参考漂移管离子迁移质谱计(DTIM-MS),其中影响IM分离的实验参数的测量精度得到了改进,为120多个独特的离子物种提供了标准化的漂移管、氮CCS值(DTCCSN2),到目前为止,测量不确定度最低。这些DTCCSN2值的重现性是在另外三个实验室的商业DTIM-MS仪器上进行评估的。传统的阶梯场CCS方法对另外三个实验室的所有离子物种的相对标准偏差(RSD)为0.29%。经校准的单场CCS方法与多种色谱柱进样系统兼容,与参比系统上的标准阶梯场DTCCSN2值的平均绝对偏差为0.54%。在这项实验室间研究中观察到的低相对标准偏差和偏差说明了DTIM-MS为广泛的基于发现的分析提供分子识别器的潜力。
Collision cross section (CCS) measurements resulting from ion mobility – mass spectrometry (IM-MS) experiments provide a promising orthogonal dimension of structural information in MS based analytical separations. As with any molecular identifier, interlaboratory standardization must precede broad range integration into analytical workflows. In this study we present a reference drift tube ion mobility mass spectrometer (DTIM-MS) where improvements on the measurement accuracy of experimental parameters influencing IM separations provide standardized drift tube, nitrogen CCS values (DTCCSN2) for over 120 unique ion species with the lowest measurement uncertainty to date. The reproducibility of these DTCCSN2 values are evaluated across three additional laboratories on a commercially-available DTIM-MS instrument. The traditional stepped field CCS method performs with a relative standard deviation (RSD) of 0.29% for all ion species across the three additional laboratories. The calibrated single field CCS method, which is compatible with a wide range of chromatographic inlet systems, performs with an average, absolute bias of 0.54% to the standardized stepped field DTCCSN2 values on the reference system. The low RSD and biases observed in this interlaboratory study illustrate the potential of DTIM-MS for providing a molecular identifier for a broad range of discovery based analyses.
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