Parts-per-billion mass measurement accuracy achieved through the combination of multiple linear regression and automatic gain control in a Fourier transform ion cyclotron resonance mass spectrometer
Parts-per-billion mass measurement accuracy achieved through the combination of multiple linear regression and automatic gain control in a Fourier transform ion cyclotron resonance mass spectrometer
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DOI：
10.1021/ac0704210
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发表时间：
2007-07-01
影响因子：
7.4
通讯作者：
Muddiman, David C.
中科院分区：
文献类型：
--
作者：
Williams, D. Keith, Jr.;Muddiman, David C.
傅里叶变换离子回旋共振质谱能够实现前所未有的质量测量精度（MMA）；MMA是质谱测量最重要的属性之一，因为它提供了非凡的分子特异性。然而，由于空间电荷效应，可实现的MMA在很大程度上取决于特定测量中离子回旋共振（ICR）电池中捕获的离子总数。即使通过使用自动增益控制（AGC），光谱之间的总离子居数也不是恒定的。在这些实验中，结合AGC的多元线性回归校准，正式解释了外部校准光谱与实验光谱之间ICR电池中总离子种群的差异。这种能力允许扩展仪器的动态范围，并使平均MMA值保持在低于百万分之一（ppm）。此外，多元线性回归校准用于解释ICR细胞中总离子种群的差异以及给定物种的相对离子丰度，这也提供了十亿分之一（ppb）水平的平均MMA值。
Fourier transform ion cyclotron resonance mass spectrometry has the ability to achieve unprecedented mass measurement accuracy (MMA); MMA is one of the most significant attributes of mass spectrometric measurements as it affords extraordinary molecular specificity. However, due to space-charge effects, the achievable MMA significantly depends on the total number of ions trapped in the ion cyclotron resonance (ICR) cell for a particular measurement. Even through the use of automatic gain control (AGC), the total ion population is not constant between spectra. Multiple linear regression calibration in conjunction with AGC is utilized in these experiments to formally account for the differences in total ion population in the ICR cell between the external calibration spectra and experimental spectra. This ability allows for the extension of dynamic range of the instrument and for the mean MMA values to remain less than 1 part-per-million (ppm). In addition, multiple linear regression calibration is used to account for both differences in total ion population in the ICR cell as well as relative ion abundance of a given species, which also affords mean MMA values at the parts-per-billion (ppb) level.