Differentiation of aminohydroxypropanesulfonic acid structural isomers using tandem mass spectrometry-based methods

Anh Nguyen, Le Thao; Bowen, Chris J.; Burchill, Laura; Williams, Spencer J.; O’Hair, Richard A.J.

doi:10.1016/j.ijms.2023.117148

Cited by 3 publications

(2 citation statements)

References 34 publications

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“…The ion trap mass spectrometer is a widely used instrument in various fields, such as food safety, − environmental protection, − aerospace engineering, − medical pharmaceuticals, − proteomics, − and metabolite analysis. − Its high efficiency, accuracy, and fast response make it highly favored. In the 1950s, Paul and Steinwedel developed a new type of magnet-free mass spectrometer, which laid the foundation for the development of ion trap mass spectrometers.…”

Section: Introductionmentioning

confidence: 99%

Fourier Transform Ion Trap Mass Analysis by Deciphering Ion Ejection Signals in the Frequency Domain

Yan,

Xu,

et al. 2024

Anal. Chem.

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Mass analysis in an ion trap is conventionally realized through time domain analysis of the ejected ion current collected from an electron multiplier (EM), in which the ion ejection time is found to have a correlation with the mass-to-charge (m/z) ratio of the ion. In this study, we investigated a new method for mass analysis by examining ion ejection signals in the frequency domain. Theoretical analysis and ion trajectory simulations show that ions of the same m/z ratio are ejected from an ion trap at regular intervals, producing a periodic pulsed signal on the EM. The period of this pulsed ejection signal is directly linked to the m/z values of the ions. To realize this method experimentally, a broadband preamplifier was built and integrated on a miniature ion trap mass spectrometer (the "Brick" series from Nier Inc.) to capture this pulsed ion ejection signal collected from the EM. Experimental results were in good agreement with theoretical and simulation analyses. This method has the potential to improve the mass resolution of an ion trap mass analyzer. As a proof-of-concept demonstration, a peak width of 0.1 Da at a m/z value of 281 was achieved in experiments.

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Section: Introductionmentioning

confidence: 99%

Fourier Transform Ion Trap Mass Analysis by Deciphering Ion Ejection Signals in the Frequency Domain

Yan,

Xu,

et al. 2024

Anal. Chem.

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“…The commonly used techniques for separating and analyzing isomers include thin-layer chromatography, 14 capillary electrophoresis, 15 supercritical chromatography, 16 gas chromatography-mass spectrometry, 17 high-performance liquid chromatography-mass spectrometry, [18][19][20] and high-resolution mass spectrometry. 21 In addition, some new two-dimensional separation mass spectrometry technologies have been gradually applied to isomer detection, such as ion mobility separation tandem mass spectrometry, [22][23][24] direct-infusion tandem mass spectrometry, 25 femtosecond time-resolved mass spectrometry, 26 and matrix-assisted laser desorption/ionization mass spectrometry.…”

mentioning

confidence: 99%

A computational and experimental study of cis–trans isomeric pesticides based on collision‐induced dissociation of high‐resolution mass spectrometry

Zhang,

Chang,

Chen

et al. 2024

Rapid Comm Mass Spectrometry

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RationalePesticide isomers are widely available in agricultural production and may vary widely in biological activity, potency, and toxicity. Chromatographic and mass spectrometric analysis of pesticide isomers is challenging due to structural similarities.MethodsBased on liquid chromatography time‐of‐flight mass spectrometry, identification of cis–trans isomeric pesticides was achieved through retention time, characteristic fragment ions, and relative abundance ratio. Furthermore, theoretical and basic research has been conducted on the differences in characteristic fragment ions and their relative abundance ratios of cis–trans isomers. On the one hand, the cleavage pathways of six cis–trans isomers were elucidated through collision‐induced dissociation to explain different fragment ions of the isomers. On the other hand, for those with the same fragment ions but different abundance ratios, energy‐resolved mass spectrometry combined with computational chemical density functional theory in terms of kinetics, thermodynamics, and bond lengths was employed to explain the reasons for the differences in characteristic fragment ions and their abundance ratios.ResultsA high‐resolution mass spectrometry method was developed for the separation and analysis of cis–trans isomers of pesticides in traditional Chinese medicine Radix Codonopsis, and six pesticide isomers were distinguished by retention time, product ions, and relative abundance ratios. The limits of quantification of the six pesticides were up to 10 μg/kg, and the linear ranges of them were 10–200 μg/kg, with coefficients of determination (R2) > 0.99, which demonstrated the good linearity of the six pesticides. The recoveries of the pesticides at spiked concentrations of 10, 20, and 100 μg/kg reached 70–120% with relative standard deviations ≤20%.ConclusionsIt was demonstrated that the application of the method was well suited for accurate qualitative and quantitative analysis for isomers with different structures, which could avoid false‐negative results caused by ignoring other isomers effectively.

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Qualitative and quantitative analysis of pesticide isomers based on collision-induced dissociation of high-resolution mass spectrometry

Zhang,

Chang,

Chen

et al. 2024

Microchemical Journal

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Differentiation of aminohydroxypropanesulfonic acid structural isomers using tandem mass spectrometry-based methods

Cited by 3 publications

References 34 publications

Fourier Transform Ion Trap Mass Analysis by Deciphering Ion Ejection Signals in the Frequency Domain

Fourier Transform Ion Trap Mass Analysis by Deciphering Ion Ejection Signals in the Frequency Domain

A computational and experimental study of cis–trans isomeric pesticides based on collision‐induced dissociation of high‐resolution mass spectrometry

Qualitative and quantitative analysis of pesticide isomers based on collision-induced dissociation of high-resolution mass spectrometry

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