Cited by 385Atmospheric and Environmental Gas DynamicsScientific Measurement and Uncertainty EvaluationGroundwater and Isotope Geochemistry

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Correction for the 17O interference in δ(13C) measurements when analyzing CO2 with stable isotope mass spectrometry (IUPAC Technical Report)

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Brand, Willi A., Assonov, Sergey S., Coplen, Tyler B.·2010·Pure and Applied Chemistry

DOI 10.1351/pac-rep-09-01-05

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Abstract

Measurements of δ( 13 C) determined on CO 2 with an isotope-ratio mass spectrometer (IRMS) must be corrected for the amount of 17 O in the CO 2 . For data consistency, this must be done using identical methods by different laboratories. This report aims at unifying data treatment for CO 2 IRMS by proposing (i) a unified set of numerical values, and (ii) a unified correction algorithm, based on a simple, linear approximation formula. Because the oxygen of natural CO 2 is derived mostly from the global water pool, it is recommended that a value of 0.528 be employed for the factor λ, which relates differences in 17 O and 18 O abundances. With the currently accepted N ( 13 C)/ N ( 12 C) of 0.011 180(28) in VPDB (Vienna Peedee belemnite) reevaluation of data yields a value of 0.000 393(1) for the oxygen isotope ratio N ( 17 O)/ N ( 16 O) of the evolved CO 2 . The ratio of these quantities, a ratio of isotope ratios, is essential for the 17 O abundance correction: [ N ( 17 O)/ N ( 16 O)]/[ N ( 13 C)/ N ( 12 C)] = 0.035 16(8). The equation [δ( 13 C) ≍ 45 δ VPDB-CO2 + 2 17 R / 13 R ( 45 δ VPDB-CO2 – λ 46 δ VPDB-CO2 )] closely approximates δ( 13 C) values with less than 0.010 ‰ deviation for normal oxygen-bearing materials and no more than 0.026 ‰ in extreme cases. Other materials containing oxygen of non-mass-dependent isotope composition require a more specific data treatment. A similar linear approximation is also suggested for δ( 18 O). The linear approximations are easy to implement in a data spreadsheet, and also help in generating a simplified uncertainty budget.

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Physicochemical Conditions of the Devonian-Jurassic Continental Deep Biosphere Tracked by Carbonate Clumped Isotope Temperatures of Granite-Hosted Carbonate Veins
Herlambang, A., John, C., & Drake, H. (2023) · Geofluids · doi:10.1155/2023/8445328 · Cited by 1
“This equation includes a range of calcite precipitated between 25 and 250°C [35] reprocessed using our internal values for the standards and the ‘IUPAC-recommended (17)O correction’ parameters [36] which assume the values for ratios of C, O, O in VPDB standard, and a mass-dependent slope λ that relates δ(17)O and δ(18…”
Method
Comparing isotopic estimates of paleoelevation from carbonates and volcanic glass from the Miocene-age Chucal Formation in northern Chile
Jiménez‐Rodríguez, S., Quade, J., Dettinger, M. P., Huntington, K. W., & Kelson, J. R. (2022) · Chemical Geology · doi:10.1016/j.chemgeo.2022.120798 · Cited by 2
Final report on pilot study CCQM-P211: carbon isotope delta measurements of vanillin
Chartrand, M., Kai, F., Meijer, H., Moossen, H., Qi, H., Aerts-Bijma, A., Cui, Y., Geilmann, H., Mester, Z., & Meija, J. (2022) · Metrologia · doi:10.1088/0026-1394/59/1a/08005 · Cited by 1
“Vanillin extracted from vanilla beans is an expensive and lengthy production, resulting in hundreds-fold more expensive prices than vanillin synthesized from cheaper, petrol-based precursors [1, 2].”
Background
Co-evolutions of terrestrial temperature and seasonal precipitation from the latest Pleistocene to the mid-Holocene in Japan: carbonate clumped isotope record of a stalagmitePreprint
Kato, H., Mori, T., Amekawa, S., Wu, C.-C., Shen, C.-C., & Kano, A. (2021) · Research Square · doi:10.21203/rs.3.rs-993823/v1 · Cited by 1
Firewood residential heating – local versus remote influence on the aerosol burden
Betancourt, C., Küppers, C., Piansawan, T., Sager, U., Hoyer, A., Kaminski, H., Rapp, G., John, A., Küpper, M., Quass, U., et al. (2021) · Atmospheric Chemistry and Physics · doi:10.5194/acp-21-5953-2021 · Cited by 1
“Therefore, carbon isotope ratios 13R = 13C 12C are given using the delta value: δ13C= (13C/12C)sample− (13C/12C)VPDB (13C/12C)VPDB × 1000‰, (3) where (13C/12C)VPDB is the internationally accepted Vienna Pee Dee Belemnite (VPDB) value of 0.0111828 (Brand et al., 2010; Craig, 1957).”
MethodInfluential
Carbon Isotopic Measurements of Nanotubes to Differentiate Carbon Sources
Chartrand, M. M. G., Kingston, C. T., Simard, B., & Mester, Z. (2019) · ACS Omega · doi:10.1021/acsomega.9b03254 · Cited by 1
Stable Isotope Techniques for Gas Source Mass Spectrometry
Sharp, Z. D. (2013) · Treatise on Geochemistry · doi:10.1016/b978-0-08-095975-7.01425-x · Cited by 2
Supplemental Material: A tropically hot mid-Cretaceous North American Western Interior Seaway
Jones, M. M., & al., E. (2022) · doi:10.1130/geol.s.19633128.v1
Climate variability from Early Miocene lacustrine stromatolites in the western Mediterranean, Ebro Basin (NE Spain)
Ghosh, P., Banerjee, S., Banerjee, Y., Pérez-Rivarés, F. J., Sanz, L. F. A., Osácar, C., & Arenas, C. (2026) · Sedimentary Geology · doi:10.1016/j.sedgeo.2026.107202
Internal water and organic matter increase calcite clumped isotope reactivity
Sun, Z., Cheng, J., Banerjee, S., & Grossman, E. L. (2026) · Geochimica et Cosmochimica Acta · doi:10.1016/j.gca.2026.07.038
Diagenetic controls on porosity evolution and pore type organisation in microporous carbonate rocks: Evidence for mesogenetic porosity formation
Bitault, H., Hollis, C., Tonetto, A., Deschamps, P., Léonide, P., & Fournier, F. (2026) · Sedimentology · doi:10.1111/sed.70136
Jet-induced rainfall seasonality and C4 migration over East Asia
Da, J., Sun, C.-R., Serach, L., Gallagher, T., Lu, H.-Y., Huntington, K., Feng, R., Zhang, H.-Z., Wang, H., Ji, S., et al. (2026) · Nature Communications · doi:10.1038/s41467-026-74312-5
“Δ 47 values were calculated using established methods 63 , with the exceptionthat weusedupdated 17 Ocorrectionparameters 64 , following recommendations of ref.”
Shell isotope data of the variegated scallop (Mimachlamys varia) and queen scallop (Aequipecten opercularis) provide information on marine environmental conditions and the timing and rate of seasonal growth
Peharda, M., de Winter, N. D., Schöne, B., Uvanović, H., van der Lubbe, J. V. D., Verdegaal-Warmerdam, S., Bujas, N., Stanić, R., & Janeković, I. (2026) · Regional Studies in Marine Science · doi:10.1016/j.rsma.2026.105143
From serpentinization to carbonation: Petrological and geochemical constraints from an ophiolitic reaction profile
Zheng, H.-D., Xiong, Q., Zhou, X., Chang, B., Dai, H., Cai, H.-Z., Wang, L. X., Li, Y.-C., Xue, L.-F., Chen, M., et al. (2026) · Chemical Geology · doi:10.1016/j.chemgeo.2026.123529 · Cited by 1
Characterization of trace element impurities and carbon isotope delta in HIPC-1, a high-purity graphite certified reference material
Chartrand, M., Yang, L., Methven, B., Mihai, O., Hélie, J.-F., Adamowicz-Walczak, A., Middlestead, P., Mester, Z., & Meija, J. (2026) · Analytical and Bioanalytical Chemistry · doi:10.1007/s00216-026-06428-y
“…an internal spread-sheet to apply the recommended IUPAC linear approximation algorithm 17 O correction [10]; UO used the Santrock, Studley, and Hayes (SSH) algorithm [11], and Geotop used the SSH algorithm in the software, but used the IUPAC recommended K , λ , R 13 , R 17 , and R 18 values [10].”
Middle Eocene hyperthermal seasonality from Paris Basin marine mollusks
Marlot, L., Huyghe, D., Briais, J., Daëron, M., Fléhoc, C., Emmanuel, L., Merle, D., Aguerre-Chariol, O., & Lartaud, F. (2026) · Palaeogeography Palaeoclimatology Palaeoecology · doi:10.1016/j.palaeo.2026.113547
Improving long-term Δ47 repeatability of the Thermo Scientific 253 Plus 10 kV IRMS using a prototype Peltier-based cooling system
Rinyu, L., Czébely, A., Kiss, D., Kele, S., Czellár, S., Molnár, J., & Túri, M. (2025) · International Journal of Mass Spectrometry · doi:10.1016/j.ijms.2025.117565 · Cited by 1
Seawater properties based on clumped isotope analyses of macrofossil assemblages from the Upper Cretaceous–lower Paleocene Type-Maastrichtian area
Müller, I. A., Rijkes, D., Judd, E. J., Hamers, M., Plümper, O., Jagt, J. W. M., & Ziegler, M. (2025) · Cretaceous Research · doi:10.1016/j.cretres.2025.106258
Seasonal Sea Surface Temperatures from Mercenaria spp. During the Plio-Pleistocene: Oxygen Isotope Versus Clumped Isotope Paleothermometers
Braniecki, G. F. N., Surge, D. M., & Hyland, E. G. (2025) · Geosciences · doi:10.3390/geosciences15080295
Late-stage evolution of hypogene caves at Tyuya-Muyun (Kyrgyzstan): Quantitative insights from mineral deposits
Koltai, G., Spötl, C., Rinyu, L., Honiat, C., Racine, T. M. F., Zhang, H., Krüger, Y. S., & Dublyansky, Y. V. (2024) · Chemical Geology · doi:10.1016/j.chemgeo.2024.122454
Freshwater microbial mud: Punctuated diagenesis during marine transgression in the Florida Everglades, USA
Pederson, C. L., Klaus, J. S., McNeill, D., & Swart, P. K. (2024) · Sedimentology · doi:10.1111/sed.13196
“Homogenized sediments were also measured for their inorganic δ 13 C carb and δ 18 O carb values by dissolution in phosphoric acid using the common acid bath method (Swart et al ., 1991) Craig, 1957; Brand et al ., 2010) and modiﬁed for a triple collector mass spectrometer.”
Fluid inclusion calibration of clumped-isotope solid-state reordering in dolomite: Implication for thermal history reconstruction in deeply buried reservoirs
Ping, H., Deng, W., Chen, H., Guo, Y., Kong, K., Yang, X., & Liu, J. (2024) · Marine and Petroleum Geology · doi:10.1016/j.marpetgeo.2024.106773
Paleogene Paleohydrology of Ellesmere and Axel Heiberg Islands (Arctic Canada) From Palustrine Carbonates
Padgett, A. B., Hyland, E. G., West, C. K., Burgener, L., Greenwood, D. R., & Basinger, J. F. (2023) · Paleoceanography and Paleoclimatology · doi:10.1029/2023pa004609 · Cited by 1
“Data were processed using Easotope software (John & Bowen, 2016), using the Brand et al. (2010) 17 O correction parameters (Daëron et al., 2016; Schauer et al., 2016) and corrected with a 70°C calcite acid fractionation of 0.066 (Petersen et al., 2019).”
MethodInfluential
Chemostratigraphic contributions to paleoenvironmental assessment of microbialites from neoproterozoic Capiru Formation, Southern Ribeira Belt – Brazil
Lange, L., Diório, G. R., Bahniuk, A. M., & Cury, L. F. (2023) · Journal of South American Earth Sciences · doi:10.1016/j.jsames.2023.104459
Evaluation of the moderate DI13C isotope enrichment method for measuring photochemical mineralization of marine dissolved organic carbon
Xi, L., & Beaupré, S. (2021) · Limnology and Oceanography : Methods · doi:10.1002/lom3.10450
“4; Supporting Information), where 13Rstd = 0.01118 is the 13C/12C ratio in the isotope reference standard of carbon (Pee Dee Belemnite [PDB]; Brand et al. 2010; Brand et al. 2014; Chang and Li 1990; Craig 1957; Meija et al. 2016; Rosman and Taylor 1998).”
BackgroundInfluential
Towards disentangling climatic and tectonic changes of southernmost Africa using strontium isotope stratigraphy and clumped isotope thermometry
Linol, B., Montañez, I., Lombardo, A., Kuta, D., Upadhyay, D., Arnold, A. J., Tripati, A., Bauer, A., & Musa, S. (2021) · South African Journal of Geology · doi:10.25131/sajg.124.0045
Review comments of Firewood residential heating – local versus regional influence on the aerosol burden
Betancourt, C., Küppers, C., Sager, U., Hoyer, A., Kaminski, H., Rapp, G., John, A., Küpper, M., Quass, U., Kuhlbusch, T., et al. (2020) · doi:10.5194/acp-2020-1133
“…13 𝐶 12 are given using the delta value: 125 𝛿13𝐶 = ( 𝐶 13 / 𝐶 12 )𝑠𝑎𝑚𝑝𝑙𝑒−( 𝐶 13 / 𝐶 12 )𝑉𝑃𝐷𝐵 ( 𝐶 13 / 𝐶 12 )𝑉𝑃𝐷𝐵 × 1000 ‰ (3) where ( 𝐶 13 / 𝐶 12 )𝑉𝑃𝐷𝐵 is the internationally accepted Vienna Peedee Belemnite (VPDB) value of 0.0111828 (Brand et al., 2010;Craig, 1957).”
Influential
Absolute isotope ratios of carbon dioxide – a feasibility study
Flierl, L., Rienitz, O., Brewer, P. J., Meijer, H. A. J., & Steur, F. (2020) · Journal of Analytical Atomic Spectrometry · doi:10.1039/d0ja00318b · Cited by 3
Coupling clumped isotope thermometry and XRD analysis in the study of shallow-burial dolomite diagenesis
Veillard, C. (2019) · doi:10.25560/76532
“The minimum amount of CO2 required for analysis is of the order of 20 mbar (Brand et al., 2010).”
BackgroundMethodInfluential
Analysis of Accurate 13C and 18O Isotope Measurements of CO2 in CARIBIC Aircraft Air Samples from the Tropical Troposphere, and the Upper Troposphere/Lowermost Stratosphere
Assonov, S., Brenninkmeijer, C., Schuck, T., & Taylor, P. (2010) · doi:10.5194/acpd-10-5999-2010
“All isotope data are on the VPDB-CO2 scale (linked to NBS-19-CO2) by using the (17)O correction after Assonov and Brenninkmeijer (2003) which is currently being officially recommended (13th WMO/IAEA Meeting; Brand et al., 2009).”
MethodSelf-citation
MAJOR CONTROLS ON DIAGENESIS IN THE MARTIN BRIDGE FORMATION: WALLOWA MOUNTAINS, OREGON
Eisenberg, J. L., & Bershaw, J. (2021) · Abstracts with programs - Geological Society of America · doi:10.1130/abs/2021am-370334
“Δ47 values are calculated using established methods (Santrock et al., 1985; Eiler and Schauble, 2004; Huntington et al., 2009; Brand et al., 2010; Schauer et al., 2016; Daëron et al., 2016) and are corrected to the carbon dioxide equilibrium scale (CDES) of (Dennis et al., 2011) using CO2…”
Method

Authors: Brand, W. A., Assonov, S. S., & Coplen, T. B.
Affiliations: Max Planck Society (DE)
European Commission (BE)
United States Geological Survey (US)
ORCID: Brand, Willi A.
Assonov, Sergey S.
Coplen, Tyler B.
Venue: Pure and Applied Chemistry
Publisher: Walter de Gruyter GmbH
Published: 2010-05-26
Volume: 82
Issue: 8
Pages: 1719-1733
ISSN: 0033-4545 (ISSN-L)
1365-3075
DOI: 10.1351/pac-rep-09-01-05
OpenAlex: W2129805855
Cited by: 385
References: 27
Citations by year: 2026: 20 · 2025: 27 · 2024: 38 · 2023: 45 · 2022: 48 · 2021: 52 · 2020: 36 · 2019: 36 · 2018: 36 · 2017: 20 · 2016: 6 · 2015: 4 · 2014: 3 · 2013: 5 · 2012: 6
Type: journal article
Language: en
Open access: bronze
doi.org
Locations: Pure and Applied Chemistry (publishedVersion)
Joint Research Centre (European Commission) (submittedVersion)
Topics: Physical Sciences › Environmental Science › Global and Planetary Change › Atmospheric and Environmental Gas Dynamics
Physical Sciences › Physics and Astronomy › Instrumentation › Scientific Measurement and Uncertainty Evaluation
Physical Sciences › Earth and Planetary Sciences › Geochemistry and Petrology › Groundwater and Isotope Geochemistry
Keywords: carbon-13 stable isotopes, carbon dioxide, isotope ratio mass spectrometry, oxygen isotope ratios, uncertainty budget

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Correction for the 17O interference in δ(13C) measurements when analyzing CO2 with stable isotope mass spectrometry (IUPAC Technical Report)

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