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Title: Application of Atmospheric Solids Analysis Probe Mass Spectrometry (ASAP-MS) in Petroleomics: Analysis of Condensed Aromatics Standards, Crude Oil, and Paraffinic Fraction

Abstract

Atmospheric solids analysis probe mass spectrometry (ASAP-MS) is a powerful tool for analysis of solid and liquid samples. It is an excellent alternative for crude oil analysis without any sample preparation step. Here, ASAP-MS in positive ion mode, ASAP(+)-MS, has been optimized for analysis of condensed aromatics (CA) standards, crude oil, and paraffinic fraction samples using a Synapt G2-S HDMS. Initially, two methodologies were used to access the chemical composition of samples: (1) using a temperature gradient varying from 150 to 600 °C at a heating rate of 150 °C min{sup –1}, and (2) with constant temperature of 300 and 400 °C. ASAP(+)-MS ionized many compounds with a typical petroleum profile, showing a greater signals range of m/z 250–1300 and 200–1400 for crude oil and paraffin samples, respectively. Such performance, mainly related to the detection of high molecular weight compounds (>1000 Da), is superior to that of other traditional ionization sources, such as ESI, APCI, DART, and DESI. Additionally, the CA standards were identified in both forms: radicals, [M]{sup +•}, and protonated cations, [M + H]{sup +}, with minimum fragmentation. Therefore, ASAP was more efficient in accessing the chemical composition of nonpolar and polar compounds. It is promising in its application withmore » ultrahigh resolution MS instruments, such as FT-ICR MS and Orbitrap, since molecular formulas with greater resolution and mass accuracy (<1 ppm) would be assigned. .« less

Authors:
 [1];  [2];  [3];  [1]
  1. Federal University of Espírito Santo, Petroleomic and Forensic Chemistry Laboratory, Department of Chemistry (Brazil)
  2. Waters Technologies of Brazil (Brazil)
  3. Federal University of Goiás, Chemistry Institute (Brazil)
Publication Date:
OSTI Identifier:
22776848
Resource Type:
Journal Article
Journal Name:
Journal of the American Society for Mass Spectrometry
Additional Journal Information:
Journal Volume: 28; Journal Issue: 11; Other Information: Copyright (c) 2017 American Society for Mass Spectrometry; http://www.springer-ny.com; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1044-0305
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY; CHEMICAL COMPOSITION; DETECTION; FOURIER TRANSFORMATION; FRAGMENTATION; ION CYCLOTRON-RESONANCE; IONIZATION; MASS SPECTROSCOPY; MOLECULAR WEIGHT; PARAFFIN; POLYCYCLIC AROMATIC HYDROCARBONS; SAMPLE PREPARATION; SOLIDS; TEMPERATURE GRADIENTS

Citation Formats

Tose, Lilian V., Murgu, Michael, Vaz, Boniek G., and Romão, Wanderson. Application of Atmospheric Solids Analysis Probe Mass Spectrometry (ASAP-MS) in Petroleomics: Analysis of Condensed Aromatics Standards, Crude Oil, and Paraffinic Fraction. United States: N. p., 2017. Web. doi:10.1007/S13361-017-1764-2.
Tose, Lilian V., Murgu, Michael, Vaz, Boniek G., & Romão, Wanderson. Application of Atmospheric Solids Analysis Probe Mass Spectrometry (ASAP-MS) in Petroleomics: Analysis of Condensed Aromatics Standards, Crude Oil, and Paraffinic Fraction. United States. doi:10.1007/S13361-017-1764-2.
Tose, Lilian V., Murgu, Michael, Vaz, Boniek G., and Romão, Wanderson. Wed . "Application of Atmospheric Solids Analysis Probe Mass Spectrometry (ASAP-MS) in Petroleomics: Analysis of Condensed Aromatics Standards, Crude Oil, and Paraffinic Fraction". United States. doi:10.1007/S13361-017-1764-2.
@article{osti_22776848,
title = {Application of Atmospheric Solids Analysis Probe Mass Spectrometry (ASAP-MS) in Petroleomics: Analysis of Condensed Aromatics Standards, Crude Oil, and Paraffinic Fraction},
author = {Tose, Lilian V. and Murgu, Michael and Vaz, Boniek G. and Romão, Wanderson},
abstractNote = {Atmospheric solids analysis probe mass spectrometry (ASAP-MS) is a powerful tool for analysis of solid and liquid samples. It is an excellent alternative for crude oil analysis without any sample preparation step. Here, ASAP-MS in positive ion mode, ASAP(+)-MS, has been optimized for analysis of condensed aromatics (CA) standards, crude oil, and paraffinic fraction samples using a Synapt G2-S HDMS. Initially, two methodologies were used to access the chemical composition of samples: (1) using a temperature gradient varying from 150 to 600 °C at a heating rate of 150 °C min{sup –1}, and (2) with constant temperature of 300 and 400 °C. ASAP(+)-MS ionized many compounds with a typical petroleum profile, showing a greater signals range of m/z 250–1300 and 200–1400 for crude oil and paraffin samples, respectively. Such performance, mainly related to the detection of high molecular weight compounds (>1000 Da), is superior to that of other traditional ionization sources, such as ESI, APCI, DART, and DESI. Additionally, the CA standards were identified in both forms: radicals, [M]{sup +•}, and protonated cations, [M + H]{sup +}, with minimum fragmentation. Therefore, ASAP was more efficient in accessing the chemical composition of nonpolar and polar compounds. It is promising in its application with ultrahigh resolution MS instruments, such as FT-ICR MS and Orbitrap, since molecular formulas with greater resolution and mass accuracy (<1 ppm) would be assigned. .},
doi = {10.1007/S13361-017-1764-2},
journal = {Journal of the American Society for Mass Spectrometry},
issn = {1044-0305},
number = 11,
volume = 28,
place = {United States},
year = {2017},
month = {11}
}