DART Fourier transform ion cyclotron resonance mass spectrometry for analysis of complex organic mixtures

Lobodin, Vladislav V.; Nyadong, Leonard; Ruddy, Brian M.; Curtis, Matthew; Jones, Patrick R.; Rodgers, Ryan P.; Marshall, Alan G.

doi:10.1016/j.ijms.2014.07.050

Cited by 32 publications

(33 citation statements)

References 48 publications

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“…In addition to mass determination, molecules of the same heteroatom class, carbon number (degree of alkylation), and degree of unsaturation (type) are readily differentiated. 6 A visualization tool for accurate mass data that has gained popularity in recent years is the Kendrick Mass Defect plot, which defines masses differing by CH 2 to the same mass defect. 5,21 Figure 1 shows a GC×GC−CI-HRToFMS chromatogram of a crude oil sample and the corresponding Kendrick Mass Defect plot generated by integrating all of the ions in the deconvoluted mass spectra of each of the individual chromatographic peaks determined by the ChromaTOF-HRT software.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

Distinguishing the C₃ vs SH₄ Mass Split by Comprehensive Two-Dimensional Gas Chromatography–High Resolution Time-of-Flight Mass Spectrometry

2016

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The C3 vs SH4 (0.0034 Da) mass split is considered to be one of the most critical mass splits in petroleomics and is relevant because of the regulatory requirements for sulfur in petroleum fractions. To date, there are two ways to resolve mass splits such as C3 vs SH4: (a) ultrahigh resolution Fourier transform mass spectrometry (FT-MS); (b) high-resolution chromatography such as comprehensive two-dimensional gas chromatography (GC×GC). High-resolution chromatography minimizes the mass spectral resolution required to distinguish these key chemical constituents and provides additional sample characterization via isomer separation. High resolution mass spectrometry enables unambiguous chemical formulas determination and structural elucidation. In this paper, we demonstrate the combination of high resolution GC×GC with high resolution time-of-flight mass spectrometry to distinguish the C3 vs SH4 mass split and other common mass splits in a crude oil sample.

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Section: ■ Results and Discussionmentioning

confidence: 99%

Distinguishing the C₃ vs SH₄ Mass Split by Comprehensive Two-Dimensional Gas Chromatography–High Resolution Time-of-Flight Mass Spectrometry

2016

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“…For example, the chromatographic techniques coupled to mass spectrometers and high-resolution mass spectrometric techniques were used extensively in the analysis of the bio-oil, biomass, and lignin samples [20][21][22][23][24]. These methods concentrate on the detection of individual species basing on the chromatographic separation and high molecular resolution.…”

Section: Introductionmentioning

confidence: 99%

Structural Characterization of Lignin and Its Degradation Products with Spectroscopic Methods

Hong-qin

et al. 2017

Journal of Spectroscopy

227

103

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Lignin is highly branched phenolic polymer and accounts 15-30% by weight of lignocellulosic biomass (LCBM). The acceptable molecular structure of lignin is composed with three main constituents linked by different linkages. However, the structure of lignin varies significantly according to the type of LCBM, and the composition of lignin strongly depends on the degradation process. Thus, the elucidation of structural features of lignin is important for the utilization of lignin in high efficient ways. Up to date, degradation of lignin with destructive methods is the main path for the analysis of molecular structure of lignin. Spectroscopic techniques can provide qualitative and quantitative information on functional groups and linkages of constituents in lignin as well as the degradation products. In this review, recent progresses on lignin degradation were presented and compared. Various spectroscopic methods, such as ultraviolet spectroscopy, Fourier-transformed infrared spectroscopy, Raman spectroscopy, and nuclear magnetic resonance (NMR) spectroscopy, for the characterization of structural and compositional features of lignin were summarized. Various NMR techniques, such as 1 H, 13 C, 19 F, and 31 P, as well as 2D NMR, were highlighted for the comprehensive investigation of lignin structure. Quantitative 13 C NMR and various 2D NMR techniques provide both qualitative and quantitative results on the detailed lignin structure and composition produced from various processes which proved to be ideal methods in practice.

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“…Soft ionization techniques have played a crucial role in FT‐ICR MS analysis of complex organic mixtures. Ionization techniques applied in FT‐ICR MS mainly include ESI, atmospheric pressure photoionization (APPI), atmospheric pressure chemical ionization (APCI), atmospheric pressure laser ionization (APLI), laser desorption ionization (LDI), matrix‐assisted laser desorption/ionization (MALDI), EI, field desorption ionization (FDI), laser‐induced acoustic desorption ionization (LIADI), direct analysis in real time (DART) ionization, and easy ambient sonic‐spray ionization (EASI) (Rodgers & Marshall, ; Panda, Andersson, & Schrader, ; Corilo et al, ; Pereira et al, ; Cho et al, ; Lobodin et al, ). Each type of ionization technique has its special merits for identifying specific kinds of chemicals.…”

Section: Class Chemicals Revealed By Ft‐icr Ms In Cdlsmentioning

confidence: 99%

“…Nonpolar chemicals account for a large proportion in crude oils or CDLs and it is necessary to understand their compositions. Chemical derivatization reactions, such as methylation (Müller, Andersson, & Schrader, ; Panda, Schrader, & Andersson, ) and oxidation (e.g., RICO) (Liu et al, ; Zhou et al, ), have been applied to facilitate the ionization capacities of SCCs and hydrocarbons for their easy identification with ESI FT‐ICR MS. Ionization techniques, such as APPI, LDI, EI, FD, LIADI, and DART, coupled to FT‐ICR MS have been used to characterize less polar and nonpolar chemicals, especially hydrocarbons and SCCs (Schaub et al, ; Rodgers & Marshall, ; Nyadong et al, ; Mennito & Qian, ; Pereira et al, ; Cho et al, ; Lobodin et al, ). For instance, APPI has been reported to be effective for ionizing condensed arenes (Purcell et al, ; McKenna et al, ; Pereira et al, ).…”

Section: Class Chemicals Revealed By Ft‐icr Ms In Cdlsmentioning

confidence: 99%

Application of mass spectrometry in the characterization of chemicals in coal‐derived liquids

Liu

Fan

Wei

et al. 2016

Mass Spectrometry Reviews

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Coal-derived liquids (CDLs) are primarily generated from pyrolysis, carbonization, gasification, direct liquefaction, low-temperature extraction, thermal dissolution, and mild oxidation. CDLs are important feedstocks for producing value-added chemicals and clean liquid fuels as well as high performance carbon materials. Accordingly, the compositional characterization of chemicals in CDLs at the molecular level with advanced analytical techniques is significant for the efficient utilization of CDLs. Although reviews on advancements have been rarely reported, great progress has been achieved in this area by using gas chromatography/mass spectrometry (GC/MS), two-dimensional GC-time of flight mass spectrometry (GC × GC-TOFMS), and Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). This review focuses on characterizing hydrocarbon, oxygen-containing, nitrogen-containing, sulfur-containing, and halogen-containing chemicals in various CDLs with these three mass spectrometry techniques. Small molecular (< 500 u), volatile and semi-volatile, and less polar chemicals in CDLs have been identified with GC/MS and GC × GC-TOFMS. By equipped with two-dimensional GC, GC × GC-TOFMS can achieve a clearly chromatographic separation of complex chemicals in CDLs without prior fractionation, and thus can overcome the disadvantages of co-elution and serious peak overlap in GC/MS analysis, providing much more compositional information. With ultrahigh resolving power and mass accuracy, FT-ICR MS reveals a huge number of compositionally distinct compounds assigned to various chemical classes in CDLs. It shows excellent performance in resolving and characterizing higher-molecular, less volatile, and polar chemicals that cannot be detected by GC/MS and GC × GC-TOFMS. The application of GC × GC-TOFMS and FT-ICR MS to chemical characterization of CDLs is not as prevalent as that of petroleum and largely remains to be developed in many respects. © 2016 Wiley Periodicals, Inc. Mass Spec Rev 36:543-579, 2017.

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DART Fourier transform ion cyclotron resonance mass spectrometry for analysis of complex organic mixtures

Cited by 32 publications

References 48 publications

Distinguishing the C₃ vs SH₄ Mass Split by Comprehensive Two-Dimensional Gas Chromatography–High Resolution Time-of-Flight Mass Spectrometry

Distinguishing the C₃ vs SH₄ Mass Split by Comprehensive Two-Dimensional Gas Chromatography–High Resolution Time-of-Flight Mass Spectrometry

Structural Characterization of Lignin and Its Degradation Products with Spectroscopic Methods

Application of mass spectrometry in the characterization of chemicals in coal‐derived liquids

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DART Fourier transform ion cyclotron resonance mass spectrometry for analysis of complex organic mixtures

Cited by 32 publications

References 48 publications

Distinguishing the C3 vs SH4 Mass Split by Comprehensive Two-Dimensional Gas Chromatography–High Resolution Time-of-Flight Mass Spectrometry

Distinguishing the C3 vs SH4 Mass Split by Comprehensive Two-Dimensional Gas Chromatography–High Resolution Time-of-Flight Mass Spectrometry

Structural Characterization of Lignin and Its Degradation Products with Spectroscopic Methods

Application of mass spectrometry in the characterization of chemicals in coal‐derived liquids

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Distinguishing the C₃ vs SH₄ Mass Split by Comprehensive Two-Dimensional Gas Chromatography–High Resolution Time-of-Flight Mass Spectrometry

Distinguishing the C₃ vs SH₄ Mass Split by Comprehensive Two-Dimensional Gas Chromatography–High Resolution Time-of-Flight Mass Spectrometry