Petroleomics: MS Returns to Its Roots.

Rodgers, Ryan P.; Schaub, Tanner; Marshall, Alan G.

doi:10.1021/ac053302y

Cited by 290 publications

(321 citation statements)

References 41 publications

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“…However, APPI fragmentation of aromatics can be eliminated by judicious choice of instrumental parameters. [3][4][5][6]. The ionization efficiency correlates with acidity or basicity.…”

mentioning

confidence: 99%

“…C omplex organic mixture characterization by mass analysis requires the ultrahigh mass resolving power of Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) [1] to distinguish thousands of ionic species simultaneously [2,3]. Electrospray ionization (ESI) of polar analytes typically involves proton transfer reactions that selectively ionize acids (to produce negative [MϪH] Ϫ ions) or bases (to produce positive [MϩH] ϩ ions) [3][4][5][6].…”

mentioning

confidence: 99%

“…Electrospray ionization (ESI) of polar analytes typically involves proton transfer reactions that selectively ionize acids (to produce negative [MϪH] Ϫ ions) or bases (to produce positive [MϩH] ϩ ions) [3][4][5][6]. The ionization efficiency correlates with acidity or basicity.…”

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confidence: 99%

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Speciation of nitrogen containing aromatics by atmospheric pressure photoionization or electrospray ionization fourier transform ion cyclotron resonance mass spectrometry

Purcell

Rodgers

Hendrickson

et al. 2007

J. Am. Soc. Mass Spectrom.

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We determine the elemental compositions of aromatic nitrogen model compounds as well as a petroleum sample by atmospheric pressure photoionization (APPI) and electrospray Ionization (ESI) with a 9.4 Tesla Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. From the double-bond equivalents calculated for the nitrogen-containing ions from a petroleum sample, we can infer the aromatic core structure (pyridinic versus pyrrolic nitrogen heterocycle) based on the presence of M ϩ · (odd-electron) versus [MϩH] ϩ (evenelectron) ions. Specifically, nitrogen speciation can be determined from either a single positive-ion APPI spectrum or two ESI (positive-and negative-ion) spectra. APPI operates at comparatively higher temperature than ESI and also produces radical cations that may fragment before detection. However, APPI fragmentation of aromatics can be eliminated by judicious choice of instrumental parameters. [3][4][5][6]. The ionization efficiency correlates with acidity or basicity. For example, carboxylic acids are efficiently ionized by negative-ion ESI, whereas basic species (e.g., pyridinic N 1 species) are efficiently ionized by positive-ion ESI.For non-polar aromatics, atmospheric pressure photoionization [7,8] (APPI) can produce ions from species that are not efficiently ionized by ESI. The youngest of the soft ionization methods, dopant-assisted APPI, was initially developed to interface liquid chromatography to mass spectrometry to analyze simple mixtures. The ionization technique is ideal for non-polar aromatic compounds because the photon energy (typically 10 eV) is great enough to ionize aromatics but not nonaromatic solvents. However, direct photoionization is usually not efficient [9]°and°the°addition°of°a°dopant enhances ionization efficiency through proton-transfer reactions and charge-exchange reactions.Although APPI is considered to be a soft ionization technique (i.e., produces minimal fragmentation of most analytes), it has been considered less soft than ESI because the APPI heated nebulizer and the source region can reach Ͼ300°C, whereas ESI is conducted at room temperature. Furthermore, toluene dopantassisted°APPI°produces°radical°cations°[10]°that°can participate in further gas-phase reactions.Here, we compare ESI and APPI for analysis of petroleum crude oil (chosen because it represents the most complex organic mixture within a dynamic range of 1000 -10,000). The nitrogen atom in aromatic N 1 class species in petroleum can reside in a five-membered ring (pyrrolic) or six-membered ring (pyridinic) and be readily protonated (pyridinic) or deprotonated (pyrrolic) by positive-ion or negative-ion ESI, respectively [11].°However,°positive-ion°APPI°efficiently°generates both pyrrolic and pyridinic nitrogen signals in a single mass°spectrum° [12].APPI can extend the characterization of the petroleome°[2,°3]°to°include°non-polar°aromatic°species°and enhance the extent of molecular speciation for better understanding of petroleum processing and refining.

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“…However, APPI fragmentation of aromatics can be eliminated by judicious choice of instrumental parameters. [3][4][5][6]. The ionization efficiency correlates with acidity or basicity.…”

mentioning

confidence: 99%

mentioning

confidence: 99%

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Speciation of nitrogen containing aromatics by atmospheric pressure photoionization or electrospray ionization fourier transform ion cyclotron resonance mass spectrometry

Purcell

Rodgers

Hendrickson

et al. 2007

J. Am. Soc. Mass Spectrom.

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120

142

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“…The superior performance of this tip over the conventional tip was attributable to its enhanced electric conduction. [4,5], and petroleum samples [6,7]. Electric energy clearly plays an important role in the ESI process, and the electrostatic field distribution at the emitter is crucial to improving ESI efficiency and stability.…”

mentioning

confidence: 99%

“…The new tip has great potential for improving signal stability in LC mass spectrometry. T he inception of electrospray ionization (ESI) to generate ions for a mass spectrometer [1,2] has had a large impact on the analyses of biopolymer [3], environmental [4,5], and petroleum samples [6,7]. Electric energy clearly plays an important role in the ESI process, and the electrostatic field distribution at the emitter is crucial to improving ESI efficiency and stability.…”

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confidence: 99%

A fused silica micro-electrospray tip with an electrically floating metal wire insert to achieve more stable electrospray ionization

Chung

Park

Kwon

et al. 2009

J. Am. Soc. Mass Spectrom.

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A new electrospray tip with a wire insert was tested and compared with the conventional bare fused silica capillary tip. The new tip combined the approach of conventional fused silica spray tips with those containing metal wires. Here, we used a floating wire so that the tips could be prepared and replaced more easily. With the conventional tip, the electrospray process became unstable and the spray current fluctuated significantly in the presence of an air bubble. When the wire-inserted tip was used under the same conditions, much less signal deterioration occurred. The superior performance of this tip over the conventional tip was attributable to its enhanced electric conduction. [4,5], and petroleum samples [6,7]. Electric energy clearly plays an important role in the ESI process, and the electrostatic field distribution at the emitter is crucial to improving ESI efficiency and stability. The electrostatic field distribution can be even more important for the micro-spray ESI [8,9] because it is often carried out without the assistance of drying and/or nebulization gas. For this reason, many studies have been devoted to improving spray tip architecture and subsequent field distribution. Spray tips made of bare fused silica [8,10] The spray tips can be divided into two main categories according to their electric conductivity: those made of a conducting material like stainless steel, and those made of a nonconducting material such as bare fused silica. The electric conduction behaviors of these two types of spray tips have been investigated thoroughly [18]. The solution resistance (R s ) was found to be a significant factor for nonconducting tips, resulting in a large drop in iR s of the applied voltage, especially when remote electric contact was made [18]. This means that the performance of nonconducting tips can be more dependent on solution conductivity than that of conducting tips. However, nonconducting tips are used more widely, presumably because they are cheaper, easier to make and replace, and have a wide range of internal diameters available. Many attempts have been made to improve the electrical conductivity of silica tips, e.g., metal-coated tips [12,13,19]. However, metalcoated tips lack long-term stability and may have a risk for particulate contamination [13,19,20]. Another way to enhance conductivity has involved dipping a metal wire into the solution inside of the capillary as a conducting electrode [21][22][23]. Fong and Chan showed that the placement of a very fine gold-plated tungsten wire (about 10 m) through a glass tip helped to maintain stable ESI for over 3 h at a low flow rate (ϳ25 nL/min) [22]. The inserted wire played an important role in stabilizing the nanospray by providing electrical contact.In this work, a new nano-electrospray tip with a floating metal wire was demonstrated. Unlike previous attempts from other groups [21][22][23], the wire was not connected directly to a power supply, so that it could be easily prepared and replaced. The electric conduction was made to a metal...

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Comprehensive Petroleomics: Multiple Mass Spectrometry Strategies for Crude Oil Characterization

Angolini

Pudenzi

Batezelli

et al. 2017

Encyclopedia of Analytical Chemistry

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Petroleum is one of the most complex mixtures in the world, and there are records of its use since 3000 BC. Today, the humankind is still dependent on petroleum and its derivatives in many ways. As the main market of the oil industry is in selling molecules, the chemical composition of oil determines its economic value; therefore, the development of new techniques to characterize oil composition is extremely important. In this article, we intend to show how far mass spectrometry (MS) has gone to fulfill the necessities of the oil industry and petroleum characterization in petroleomic field. Better techniques for petroleum characterization are discussed as also how to measure the efficiency and quality of analysis. Finally, we illustrate the uses of MS in the field with some study cases of success.

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Petroleomics: MS Returns to Its Roots.

Cited by 290 publications

References 41 publications

Speciation of nitrogen containing aromatics by atmospheric pressure photoionization or electrospray ionization fourier transform ion cyclotron resonance mass spectrometry

Speciation of nitrogen containing aromatics by atmospheric pressure photoionization or electrospray ionization fourier transform ion cyclotron resonance mass spectrometry

A fused silica micro-electrospray tip with an electrically floating metal wire insert to achieve more stable electrospray ionization

Comprehensive Petroleomics: Multiple Mass Spectrometry Strategies for Crude Oil Characterization

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