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Analysis of Photoirradiated Water Accommodated Fractions of Crude Oils Using Tandem TIMS and FT-ICR MS.

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Title: Analysis of Photoirradiated Water Accommodated Fractions of Crude Oils Using Tandem TIMS and FT-ICR MS.
Authors: Benigni, Paolo1, Sandoval, Kathia1, Thompson, Christopher J.2, Ridgeway, Mark E.2, Park, Melvin A.2, Gardinali, Piero1,3, Fernandez-Lima, Francisco1,4 fernandf@fiu.edu
Source: Environmental Science & Technology. 6/6/2017, Vol. 51 Issue 11, p5978-5988. 11p.
Subject Terms: *Petroleum & the environment, *Petroleum as fuel -- Environmental aspects, Resonance accelerators, Cyclotrons, Photooxidative stress
Abstract: For the first time, trapped ion mobility spectrometry (TIMS) in tandem with Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) is applied to the analysis of the low energy water accommodated fraction (WAF) of a crude oil as a function of the exposure to light. The TIMS-FT-ICR MS analysis provided, in addition to the heteroatom series identification, new insights into the WAF isomeric complexity (e.g., [m/z; chemical formula; collision cross section] data sets) for a better evaluation of the degree of chemical and structural photoinduced transformations. Inspection of the [m/z; chemical formula; collision cross section] data sets shows that the WAF composition changes as a function of the exposure to light in the first 115 h by initial photosolubilization of HC components and their photo-oxidation up to O4-5 of mainly high double bond equivalence species (DBE > 9). The addition of high resolution TIMS (resolving power of 90-220) to ultrahigh resolution FT-ICR MS (resolving power over 400k) permitted the identification of a larger number of molecular components in a single analysis (e.g., over 47k using TIMS-MS compared to 12k by MS alone), with instances of over 6-fold increase in the number of molecular features per nominal mass due to the WAF isomeric complexity. This work represents a stepping stone toward a better understanding of the WAF components and highlights the need for better experimental and theoretical approaches to characterize the WAF structural diversity. [ABSTRACT FROM AUTHOR]
Copyright of Environmental Science & Technology is the property of American Chemical Society and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: Analysis of Photoirradiated Water Accommodated Fractions of Crude Oils Using Tandem TIMS and FT-ICR MS.
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  Data: <searchLink fieldCode="AR" term="%22Benigni%2C+Paolo%22">Benigni, Paolo</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Sandoval%2C+Kathia%22">Sandoval, Kathia</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Thompson%2C+Christopher+J%2E%22">Thompson, Christopher J.</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Ridgeway%2C+Mark+E%2E%22">Ridgeway, Mark E.</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Park%2C+Melvin+A%2E%22">Park, Melvin A.</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Gardinali%2C+Piero%22">Gardinali, Piero</searchLink><relatesTo>1,3</relatesTo><br /><searchLink fieldCode="AR" term="%22Fernandez-Lima%2C+Francisco%22">Fernandez-Lima, Francisco</searchLink><relatesTo>1,4</relatesTo><i> fernandf@fiu.edu</i>
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  Data: <searchLink fieldCode="JN" term="%22Environmental+Science+%26+Technology%22">Environmental Science & Technology</searchLink>. 6/6/2017, Vol. 51 Issue 11, p5978-5988. 11p.
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  Data: *<searchLink fieldCode="DE" term="%22Petroleum+%26+the+environment%22">Petroleum & the environment</searchLink><br />*<searchLink fieldCode="DE" term="%22Petroleum+as+fuel+--+Environmental+aspects%22">Petroleum as fuel -- Environmental aspects</searchLink><br /><searchLink fieldCode="DE" term="%22Resonance+accelerators%22">Resonance accelerators</searchLink><br /><searchLink fieldCode="DE" term="%22Cyclotrons%22">Cyclotrons</searchLink><br /><searchLink fieldCode="DE" term="%22Photooxidative+stress%22">Photooxidative stress</searchLink>
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  Data: For the first time, trapped ion mobility spectrometry (TIMS) in tandem with Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) is applied to the analysis of the low energy water accommodated fraction (WAF) of a crude oil as a function of the exposure to light. The TIMS-FT-ICR MS analysis provided, in addition to the heteroatom series identification, new insights into the WAF isomeric complexity (e.g., [m/z; chemical formula; collision cross section] data sets) for a better evaluation of the degree of chemical and structural photoinduced transformations. Inspection of the [m/z; chemical formula; collision cross section] data sets shows that the WAF composition changes as a function of the exposure to light in the first 115 h by initial photosolubilization of HC components and their photo-oxidation up to O4-5 of mainly high double bond equivalence species (DBE > 9). The addition of high resolution TIMS (resolving power of 90-220) to ultrahigh resolution FT-ICR MS (resolving power over 400k) permitted the identification of a larger number of molecular components in a single analysis (e.g., over 47k using TIMS-MS compared to 12k by MS alone), with instances of over 6-fold increase in the number of molecular features per nominal mass due to the WAF isomeric complexity. This work represents a stepping stone toward a better understanding of the WAF components and highlights the need for better experimental and theoretical approaches to characterize the WAF structural diversity. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Environmental Science & Technology is the property of American Chemical Society and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.1021/acs.est.7b00508
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      – TitleFull: Analysis of Photoirradiated Water Accommodated Fractions of Crude Oils Using Tandem TIMS and FT-ICR MS.
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              Text: 6/6/2017
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