The analysis of crude oils and crude oil fractions is based on the identification of the molecular composition of the ionized and detected compounds in these complex mixtures by ultra-high resolution mass spectrometry.
可以通过不同的环境电离方法(例如APPI,APCI和ESI)进行电离和检测,主要是含杂种的化合物,从而引起固体沉积腐蚀和类似的问题。这些化合物甚至可以通过激光解吸/电离在几分钟内直接被电离,而无需样品制备。所得的质谱可以转移到化合物类别的相对丰度图(C与DBE图)的相对丰度,以解释提供化学结构信息的数据。
Oils from different origins can be distinguished by bulk properties such as sulfur, nitrogen, nickel and vanadium content, as well as gravity and API. However, these are only bulk parameters and they are not based on detailed compound composition. Ultra-high resolution mass spectrometry gives insight into those compounds responsible to separate oils with different origin.
Statistical methods such as Principle component analysis can be used to find these marker compounds and/or marker compound classes to separate these samples. In this example oils from South America (SAM) were identified by a higher content of the vanadyl porphyrin class compared to oils from Saudi Arabia (SAU) which had a higher content of the chemical class S2.
Petroleum and petroleum fractions such as resins and asphaltenes are analyzed on the molecular level by ultra-high resolution mass spectrometry. The compounds in complex mixtures are ionized using different ionization methods such as APPI, ESI and LDI. This information is converted to the molecular composition by software such asPetroOrgorComposer, which are available from a third party.
PetroOrg© Software
PetroOrg is a chemically intelligent, state of the art software developed specifically for petroleum data analysis acquired by mass spectrometry.
PetroOrg provides a platform for automated, unequivocal elemental composition assignment, automated generation of classic Petroleomic diagrams, automated report construction, and much more (brochureandworkflow).
Find out more onhttp://www.petroorg.com
Corilo, Y. E. PetroOrg Software; Omics LLC; All rights reserved.
Composer Software
Sierra Analytics'Composersoftware is a state-of-the-art processing and visualization system for assignment of chemical composition to FTICR-MS spectra of complex hydrocarbon mixtures.
Developed in collaboration with researchers at the National High Field FT-ICR Spectrometry Facility at Florida State University's National High Magnetic Field Laboratory, Composer embodies the analysis and presentation methods developed over years of research and documented in dozens of publications (brochure).
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