Barium ion adduct mass spectrometry to identify carboxylic acid photoproducts from crude oil–water systems under solar irradiation,Environmental Science: Processes & Impacts

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Barium ion adduct mass spectrometry to identify carboxylic acid photoproducts from crude oil–water systems under solar irradiation
Environmental Science: Processes & Impacts ( IF 4.3 ) Pub Date : 2020-11-02 , DOI: 10.1039/d0em00390e
Phoebe Zito _{1,

2,

3,

4,

5} , Donald F. Smith _{4,

6,

7,

8} , Xian Cao _{1,

2,

3,

4} , Rana Ghannam _{1,

2,

3,

4,

5} , Matthew A. Tarr _{1,

2,

3,

4}

Affiliation

Petroleum derived dissolved organic matter (DOM_HC) samples were successfully cationized with barium, revealing many [M–H + Ba]⁺ peaks in both dark and simulated sunlight treatments. The DOM_HC samples generated after light exposure exhibited a greater number of [M–H + Ba]⁺ peaks compared to the dark control. Multiple [M–H + Ba]⁺ peaks were investigated in the irradiated DOM_HC using low resolution MS/MS in order to confirm the presence of diagnostic fragment ions, m/z 139, 155 and 196 in each treatment. Due to the high complexity of the bariated DOM_HC mixture, Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS/MS) was employed to obtain molecular level information for both irradiated and dark treatments. The irradiated DOM_HC treatments had more bariated oxygenated species over a wide range of H/C and O/C when compared to the dark controls. Doubly bariated species were also observed in DOM_HC, which provides evidence that photochemistry transforms DOM_HC to even more complex mixtures with multiple oxygenations per molecule. This study provides evidence that barium adduct mass spectrometry can be successfully applied to DOM_HC screening for the presence of COOHs, both in dark samples and solar irradiated samples. Furthermore, direct evidence and molecular composition of aqueous phase crude oil photoproducts is provided by this technique.

中文翻译：

钡离子加合物质谱法鉴定太阳照射下原油-水系统中的羧酸光产物

石油衍生的溶解有机物（DOM _HC）样品已成功地与钡阳离子化，在黑暗和模拟日光处理下均显示出许多[MH + Ba] ⁺峰。与黑暗对照相比，光照后产生的DOM _HC样品显示出更多的[MH + Ba] ⁺峰。使用低分辨率MS / MS在经辐照的DOM _HC中研究了多个[ MH + Ba] ⁺峰，以确认每种处理中存在诊断碎片离子m / z 139、155和196。由于DOM _HC的复杂性很高混合物中，采用傅立叶变换离子回旋共振质谱（FT-ICR MS / MS）来获得辐照和黑暗处理的分子水平信息。与黑暗对照相比，经辐照的DOM _HC处理在宽范围的H / C和O / C范围内具有更多的钡族氧化物质。在DOM _HC中还观察到了双歧的物种，这提供了证据表明光化学将DOM _HC转化为甚至更复杂的混合物，每个分子具有多个氧合。该研究提供了钡加合物质谱可以成功应用于DOM _HC的证据筛选深色样品和太阳辐射样品中是否存在COOH。此外，该技术提供了水相原油光产物的直接证据和分子组成。

更新日期：2020-11-05

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