Schmidt Eduardo M, Pudenzi Marcos A, Santos Jandyson M, Angolini Celio F F, Pereira Rosana C L, Rocha Ygor S, Denisov Eduard, Damoc Eugen, Makarov Alexander, Eberlin Marcos N
ThoMSon Mass Spectrometry Laboratory, Institute of Chemistry, University of Campinas, UNICAMP Campinas 13083-725 SP Brazil
Nova Analítica Importações e Exportações LTDA 04131-000 São Paulo, SP Brazil.
RSC Adv. 2018 Feb 7;8(11):6183-6191. doi: 10.1039/c7ra12509g. eCollection 2018 Feb 2.
The performance of the high-field MegaOrbitrap Fourier transform mass spectrometer (FT-MS) with electrospray ionization (ESI) was evaluated to perform petroleum sample characterization classical petroleomics approaches. Pertinent parameters that underpin the main figures of merit, that is, signal to noise ratios, dynamic range, spectral error, scan speed, mass accuracy and mass resolving power = , and provide subsidies to develop these analyzers were tested. Comparisons are made with data obtained using the most common petroleomics instrument, which is a Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS), that has been used in the last decade in our laboratory for crude oil analysis providing of 340 000 at / 400 with transients of 3 s duration, and has been extensively demonstrated to fulfill all major requirements for precise petroleomics investigations. The high-field compact MegaOrbitrap mass analyzer, when operated at an = 840 000 at / 400 ( > 1 000 000 at / 200) with a detection time of 3 s, was found to be well suited for adequate characterization of crude oil. Accurate class classification and mass accuracy below 1 ppm was obtained leading to proper, comprehensive petroleomics characterization.
对配备电喷雾电离（ESI）的高场MegaOrbitrap傅里叶变换质谱仪（FT-MS）的性能进行了评估，以采用经典石油组学方法对石油样品进行表征。测试了支撑主要品质因数的相关参数，即信噪比、动态范围、光谱误差、扫描速度、质量精度和质量分辨率，并为开发这些分析仪提供了支持。将所得数据与使用最常见的石油组学仪器——傅里叶变换离子回旋共振质谱仪（FT-ICR MS）获得的数据进行比较。在过去十年中，我们实验室一直使用该仪器进行原油分析，在400 m/z时可提供340000的分辨率，瞬态时间为3 s，并且已广泛证明其满足精确石油组学研究的所有主要要求。当高场紧凑型MegaOrbitrap质量分析仪在400 m/z时分辨率为840000（200 m/z时大于1000000）且检测时间为3 s的条件下运行时，发现其非常适合对原油进行充分表征。获得了准确的类别分类和低于1 ppm的质量精度，从而实现了恰当、全面的石油组学表征。
