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Comparison of carbon isotope ratio measurement of the vanillin methoxy group by gc-irms and 13c-qnmr

Site-specific carbon isotope ratio measurements by quantitative 13C NMR (13C-qNMR), Orbitrap-MS, and GC-IRMS offer a new dimension to conventional bulk carbon isotope ratio measurements used in food provenance, forensics, and a number of other applications. While the site-specific measurements of ca...

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Bibliographic Details
Main Authors: Greule, Markus (Author) , Le, Phuong Mai (Author) , Meija, Juris (Author) , Mester, Zoltán (Author) , Keppler, Frank (Author)
Format: Article (Journal)
Language:English
Published: 2024
In: Journal of the American Society for Mass Spectrometry
Year: 2024, Volume: 35, Issue: 3, Pages: 100-105
ISSN:1879-1123
DOI:10.1021/jasms.3c00327
Online Access:lizenzpflichtig
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Author Notes:Markus Greule, Phuong Mai Le, Juris Meija, Zoltán Mester, and Frank Keppler
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Summary:Site-specific carbon isotope ratio measurements by quantitative 13C NMR (13C-qNMR), Orbitrap-MS, and GC-IRMS offer a new dimension to conventional bulk carbon isotope ratio measurements used in food provenance, forensics, and a number of other applications. While the site-specific measurements of carbon isotope ratios in vanillin by 13C-qNMR or Orbitrap-MS are powerful new tools in food analysis, there are a limited number of studies regarding the validity of these measurement results. Here we present carbon site-specific measurements of vanillin by GC-IRMS and 13C-qNMR for methoxy carbon. Carbon isotope delta (δ13C) values obtained by these different measurement approaches demonstrate remarkable agreement; in five vanillin samples whose bulk δ13C values ranged from −31‰ to −26‰, their δ13C values of the methoxy carbon ranged from −62.4‰ to −30.6‰, yet the difference between the results of the two analytical approaches was within ±0.6‰. While the GC-IRMS approach afforded up to 9-fold lower uncertainties and required 100-fold less sample compared to the 13C-qNMR, the 13C-qNMR is able to assign δ13C values to all carbon atoms in the molecule, not just the cleavable methoxy group.
Item Description:Im Titel ist 13 hochgestellt
Published online 28 November 2023, published in issue 3 January 2024
Gesehen am 14.03.2024
Physical Description:Online Resource
ISSN:1879-1123
DOI:10.1021/jasms.3c00327

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