Ultra-high-resolution Mass Spectra of Dissolved Organic Matter in the Absorption Mode

Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) is a state-of-the-art technique for the non-targeted analysis of complex organic mixtures such as dissolved organic matter (DOM) at the molecular level, and has been extensively used in the high-throughput analysis of disinfecti...

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Main Authors: Rong QIN, Lun YANG, Qing-long FU
Format: Article
Language:English
Published: Editorial Board of Journal of Chinese Mass Spectrometry Society 2025-01-01
Series:Zhipu Xuebao
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Online Access:https://zpxb.xml-journal.net/article/doi/10.7538/zpxb.2024.0036
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author Rong QIN
Lun YANG
Qing-long FU
author_facet Rong QIN
Lun YANG
Qing-long FU
author_sort Rong QIN
collection DOAJ
description Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) is a state-of-the-art technique for the non-targeted analysis of complex organic mixtures such as dissolved organic matter (DOM) at the molecular level, and has been extensively used in the high-throughput analysis of disinfection byproducts (DBPs). Compared to the traditional magnitude mode, the absorption mode of Fourier transform can considerably improve the signal-to-noise ratio and resolving powder of peaks identified in the FT-ICR MS spectra. However, information regarding the advantages of absorption mode in the analysis of DBPs is still limited. In this study, the FT-ICR MS analysis in the chlorination of surface and groundwater was performed to demonstrate the advantages of the absorption mode for DOM and DBPs analysis. The results showed that, compared with the magnitude mode, the absorption mode can significantly (P<0.05) improve the resolution (1.89-1.97 folds) and signal-to-noise ratio value (1.61-1.73 folds) of DOM, including DBPs, and remarkably reduce the mass error for formula assignment and peak intensity deviation of the peaks with large deviations. The absorption mode identifies fewer peaks but has more assigned formulas (1.21-1.39 folds). Moreover, the absorption mode is mainly favorable to the number of identified peaks for DBPs but has limited effects on decreasing the peak intensity deviation of DBPs peaks due to their low intensity at the environmental levels of chlorination reagents. The results highlight the great potential of the absorption mode technology based on FT-ICR MS for the non-targeted analysis of DOM and emerging pollutants, including DBPs.
format Article
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institution Kabale University
issn 1004-2997
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publishDate 2025-01-01
publisher Editorial Board of Journal of Chinese Mass Spectrometry Society
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spelling doaj-art-1ee6918a9ae145369ff4276d2a422ff02025-01-22T02:33:55ZengEditorial Board of Journal of Chinese Mass Spectrometry SocietyZhipu Xuebao1004-29972025-01-0146112313210.7538/zpxb.2024.00362024-036-c12Ultra-high-resolution Mass Spectra of Dissolved Organic Matter in the Absorption ModeRong QIN0Lun YANG1Qing-long FU2School of Environment Studies, China University of Geoscience (Wuhan), Wuhan 430078, ChinaSchool of Environment Studies, China University of Geoscience (Wuhan), Wuhan 430078, ChinaSchool of Environment Studies, China University of Geoscience (Wuhan), Wuhan 430078, ChinaFourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) is a state-of-the-art technique for the non-targeted analysis of complex organic mixtures such as dissolved organic matter (DOM) at the molecular level, and has been extensively used in the high-throughput analysis of disinfection byproducts (DBPs). Compared to the traditional magnitude mode, the absorption mode of Fourier transform can considerably improve the signal-to-noise ratio and resolving powder of peaks identified in the FT-ICR MS spectra. However, information regarding the advantages of absorption mode in the analysis of DBPs is still limited. In this study, the FT-ICR MS analysis in the chlorination of surface and groundwater was performed to demonstrate the advantages of the absorption mode for DOM and DBPs analysis. The results showed that, compared with the magnitude mode, the absorption mode can significantly (P<0.05) improve the resolution (1.89-1.97 folds) and signal-to-noise ratio value (1.61-1.73 folds) of DOM, including DBPs, and remarkably reduce the mass error for formula assignment and peak intensity deviation of the peaks with large deviations. The absorption mode identifies fewer peaks but has more assigned formulas (1.21-1.39 folds). Moreover, the absorption mode is mainly favorable to the number of identified peaks for DBPs but has limited effects on decreasing the peak intensity deviation of DBPs peaks due to their low intensity at the environmental levels of chlorination reagents. The results highlight the great potential of the absorption mode technology based on FT-ICR MS for the non-targeted analysis of DOM and emerging pollutants, including DBPs.https://zpxb.xml-journal.net/article/doi/10.7538/zpxb.2024.0036natural organic matterfourier transform ion cyclotron resonance mass spectrometry (ft-icr ms)chemodiversitydisinfection byproducts (dbps)absorption mode
spellingShingle Rong QIN
Lun YANG
Qing-long FU
Ultra-high-resolution Mass Spectra of Dissolved Organic Matter in the Absorption Mode
Zhipu Xuebao
natural organic matter
fourier transform ion cyclotron resonance mass spectrometry (ft-icr ms)
chemodiversity
disinfection byproducts (dbps)
absorption mode
title Ultra-high-resolution Mass Spectra of Dissolved Organic Matter in the Absorption Mode
title_full Ultra-high-resolution Mass Spectra of Dissolved Organic Matter in the Absorption Mode
title_fullStr Ultra-high-resolution Mass Spectra of Dissolved Organic Matter in the Absorption Mode
title_full_unstemmed Ultra-high-resolution Mass Spectra of Dissolved Organic Matter in the Absorption Mode
title_short Ultra-high-resolution Mass Spectra of Dissolved Organic Matter in the Absorption Mode
title_sort ultra high resolution mass spectra of dissolved organic matter in the absorption mode
topic natural organic matter
fourier transform ion cyclotron resonance mass spectrometry (ft-icr ms)
chemodiversity
disinfection byproducts (dbps)
absorption mode
url https://zpxb.xml-journal.net/article/doi/10.7538/zpxb.2024.0036
work_keys_str_mv AT rongqin ultrahighresolutionmassspectraofdissolvedorganicmatterintheabsorptionmode
AT lunyang ultrahighresolutionmassspectraofdissolvedorganicmatterintheabsorptionmode
AT qinglongfu ultrahighresolutionmassspectraofdissolvedorganicmatterintheabsorptionmode