Identification and Quantitation of Alkylphenols in Jet a by Using Preparative High-Performance Liquid Chromatography and Comprehensive Two-Dimensional Gas Chromatography with Electron Ionization High-Resolution Time-of-Flight Mass Spectrometry

Modereger, Brent A.; Guthrie, Jacob D; Nowling, Sarah E.; Zhang, Wan Tang Jeff; Peretich, Michael E.; Kenttämaa, Hilkka I.; Kılaz, Gözdem

doi:10.2139/ssrn.4441847

Cited by 1 publication

(2 citation statements)

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“…The isomers were easily identified based on their different transition frequencies (Figure 5). It should be noted here that these three isomers could not be differentiated by matching their electron ionization (EI) mass spectra measured using a GCxGC/high resolution time-of-flight mass spectrometer 36 to a commercial mass spectrometry library (Figures S8−S10).…”

Section: ■ Results and Discussionmentioning

confidence: 99%

“…The isomers were easily identified based on their different transition frequencies (Figure ). It should be noted here that these three isomers could not be differentiated by matching their electron ionization (EI) mass spectra measured using a GCxGC/high resolution time-of-flight mass spectrometer to a commercial mass spectrometry library (Figures S8–S10). Thus, LIAD-MRR can be used to identify isomers in situations wherein EI mass spectrometry fails despite the fact that the library contains the EI mass spectra of all three isomers.…”

Section: Resultsmentioning

confidence: 99%

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Application of Laser-Induced Acoustic Desorption for Molecular Rotational Resonance Spectroscopy

Rowell,

Kaur,

Zhang

et al. 2024

Anal. Chem.

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Molecular Rotational Resonance (MRR) spectroscopy is a uniquely precise tool for the determination of molecular structures of volatile compounds in mixtures, as the characteristic rotational transition frequencies of a molecule are extremely sensitive to its 3D structure through the moments of inertia in a threedimensional coordinate system. This enables identification of the compounds based on just a few parameters that can be calculated, as opposed to, for example, mass spectrometric data, which often require expert analysis of 10−20 different signals and the use of many standards/model compounds. This paper introduces a new sampling technique for MRR, laser-induced acoustic desorption (LIAD), to allow the vaporization of nonvolatile and thermally labile analytes without the need for excessive heating or derivatization. In this proof-of-concept study, LIAD was successfully coupled to an MRR instrument to conduct measurements on seven compounds with differing polarities, molecular weights, and melting and boiling points. Identification of three isomers in a mixture was also successfully performed using LIAD/MRR. Based on these results, LIAD/ MRR is demonstrated to provide a powerful approach for the identification of nonvolatile and/or thermally labile analytes with molecular weights up to 600 Da in simple mixtures, which does not require the use of reference compounds. In the future, applications to more complex mixtures, such as those relevant to pharmaceutical research, and quantitative aspects of LIAD/MRR will be reported.

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Section: ■ Results and Discussionmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%