Optimization of Atmospheric Pressure Photoionization for the Crude Oil Analysis Using Ultra-High Resolution Mass Spectrometry

Autor(es)

Santos, Jandyson M. ^{[1, 2]} ; Pudenzi, Marcos A. ^[1] ; Wisniewski, Jr., Alberto ^[3] ; Breitkreitz, Marcia C. ^[1] ; Eberlin, Marcos N. ^{[1, 4]}

Afiliação do(s) autor(es)

^[1] Univ Estadual Campinas Unicamp, Inst Quim, CP 6154, BR-13083970 Campinas, SP - Brazil

^[2] Univ Fed Rural Pernambuco, Dept Quim, BR-52171900 Recife, PE - Brazil

^[3] Univ Fed Sergipe, Dept Quim, BR-49100000 Sao Cristovao, SE - Brazil

^[4] Univ Presbiteriana Mackenzie, BR-01302907 Sao Paulo, SP - Brazil

• Tipo de documento: Artigo Científico
• Fonte: Journal of the Brazilian Chemical Society; v. 30, n. 4, p. 819-829, APR 2019.
• Citações Web of Science: 0

Resumo

Design of experiments (DOE) applied to mass spectrometry (MS), mainly focusing on the optimization of ionization techniques, has been applied to optimize experiments in order to provide the highest amount of information with the lowest number of experiments. However. DOE has not been used in petroleomics. For the first time, we applied DOE to optimize the main parameters associated with the crude oil analysis in a petroleomics approach. For the ionization technique, atmospheric pressure photoionization (APPI) has been selected and data were acquired in a high resolution (400,000 at m/z 400) and high mass accuracy (< 1 ppm) Fourier transform ion cyclotron resonance (FT-ICR) MS. Full and fractional two-level factorial designs were applied for the APPI(+/-) FT-ICR MS data set from two different crude oil samples with distinct physical and chemical characteristics. The standard ionization parameters that affect the MS responses of the crude oil analysis were optimized for both APPI(+)-MS and APPI(-)-MS. Such ionization parameters were then successfully applied to a crude oil and its saturated, aromatics, resin and asphaltene fractions, all with superior features of merit. Thus, the optimized APPI(+/-)-MS parameters should serve as reference and can be used as a guide for new studies in petroleomics. (AU)

• Processo FAPESP: 13/19161-4 - Petroleômica por FT-MS: Novas Estratégias de Caracterização por Pré-fracionamento de Óleos Contaminados e Emulsificados
• Beneficiário: Jandyson Machado Santos
• Modalidade de apoio: Bolsas no Brasil - Doutorado