Spectral Accuracy of Molecular Ions in an LTQ/Orbitrap Mass Spectrometer and Implications for Elemental Composition Determination
Spectral Accuracy of Molecular Ions in an LTQ/Orbitrap Mass Spectrometer and Implications for Elemental Composition Determination
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DOI：
10.1016/j.jasms.2009.07.014
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发表时间：
2009-11-01
影响因子：
3.2
通讯作者：
Talaat, Rasmy E.
中科院分区：
文献类型：
--
作者：
Erve, John C. L.;Gu, Ming;Talaat, Rasmy E.
除了质量准确度之外，质谱仪忠实地测量离子的同位素分布的能力（定义为光谱准确度）也很重要。虽然飞行时间质谱仪被报道与其他质谱仪相比具有高光谱精度能力，但轨道阱尚未被研究。在LTQ/Orbitrap质谱仪上测量了分子量范围为639 - 1663 Da的10种天然产物（莫昔克丁、红霉素、地高辛、利福平、雷帕霉素B、雷帕霉素、短杆菌肽S、环孢菌素A、万古霉素和硫链丝菌素），分辨率设置为7.5、15、30、60和100 K。使用程序MassWorks（Cerno Bioscience，Danbury，CT，USA）计算峰形校准后观察到的剖面同位素模式与理论计算的差异（表示为光谱误差）。光谱误差在7.5 K分辨能力（900 Da）下最小（J Am Soc Mass Spectrom 2009，20，2058-2069）（C）2009年美国质谱学会
In addition to mass accuracy, the ability of a mass spectrometer to faithfully measure the isotopic distribution of an ion, defined as spectral accuracy, is also important. Although time-of-flight mass spectrometers are reported to possess high spectral accuracy capability compared with other mass spectrometers, the Orbitrap has not yet been investigated. Ten natural products (moxidectin, erythromycin, digoxin, rifampicin, amphotericin B, rapamycin, gramicidin S, cyclosporin A, vancomycin, and thiostrepton) ranging in molecular weight from 639 to 1663 Da were measured on an LTQ/Orbitrap mass spectrometer with resolving power settings of 7.5, 15, 30, 60, and 100 K. The difference in the observed profile isotope pattern compared with the theoretical calculation after peak shape calibration, denoted spectral error, was calculated using the program MassWorks (Cerno Bioscience, Danbury, CT, USA). Spectral errors were least at 7.5 K resolving power (900 Da. (J Am Soc Mass Spectrom 2009, 20, 2058-2069) (C) 2009 American Society for Mass Spectrometry