Optimization of atmospheric pressure photoionization for the crude oil analysis using ultra-high resolution mass spectrometry

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dc.contributor.authorSantos J.M.
dc.contributor.authorPudenzi M.A.
dc.contributor.authorWisniewski A.
dc.contributor.authorBreitkreitz M.C.
dc.contributor.authorEberlin M.N.
dc.date.accessioned2024-03-12T23:55:05Z
dc.date.available2024-03-12T23:55:05Z
dc.date.issued2019
dc.description.abstract© 2019 Sociedade Brasileira de Química.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.
dc.description.firstpage819
dc.description.issuenumber4
dc.description.lastpage829
dc.description.volume30
dc.identifier.doi10.21577/0103-5053.20180214
dc.identifier.issn1678-4790
dc.identifier.urihttps://dspace.mackenzie.br/handle/10899/35371
dc.relation.ispartofJournal of the Brazilian Chemical Society
dc.rightsAcesso Aberto
dc.subject.otherlanguageAtmospheric pressure photoionization
dc.subject.otherlanguageCrude oil
dc.subject.otherlanguageDesign of experiments
dc.subject.otherlanguageUltra-high resolution mass spectrometry
dc.titleOptimization of atmospheric pressure photoionization for the crude oil analysis using ultra-high resolution mass spectrometry
dc.typeArtigo
local.scopus.citations10
local.scopus.eid2-s2.0-85070909145
local.scopus.updated2024-05-01
local.scopus.urlhttps://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85070909145&origin=inward
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