Saville Jack jack.saville@univ-grenoble-alpes.fr 0000-0003-0492-0720 Witwicky Julien Gautier Elsa elsa.gautier@univ-grenoble-alpes.fr 0000-0003-3053-8349 Savarino Joël joel.savarino@cnrs.fr 0000-0002-6708-9623 2026 ESI-Orbitrap nitrate isotopologue measurements from Col du Dome ice core dataset https://doi.org/10.1594/PANGAEA.990363 2026-08-04T00:02:57 These ESI-Orbitrap MS nitrate isotopologue data quantify d15N-NO3, d18O-NO3, D17O-NO3, D15N18O-NO3 and D18O18O-NO3 in selected samples from the Col du Dome (Mont-Blanc; 45°50'N, 6°51'E, 4236 m a.s.l.) ice core drilled in 2016. This 126 m long core archives ice from approximately the years 1800 - 2016. The nitrate isotopologue data were acquired and processed following the ESI-Orbitrap protocol for natural samples detailed by Saville et al. (in prep), using the Orbitrap Exploris 240 mass spectrometer (Thermo Fisher). The four datasets, obtained in four experiments conducted in 2024-2025 on different batches of ice core samples, were acquired for comparison with traditional IRMS nitrate isotope meausrements previously made on the same samples (Lamothe, 2024), to test the performance of ESI-Orbitrap for NO3 isotopic analysis. Saville Jack jack.saville@univ-grenoble-alpes.fr 0000-0003-0492-0720 Witwicky Julien Gautier Elsa elsa.gautier@univ-grenoble-alpes.fr 0000-0003-3053-8349 Lamothe Alexis Kuhlbusch Nils Johannes 0009-0008-0913-8678 Alexander Becky Schauer Andrew Burke Andrea Prabhat Priyesh 0000-0003-1491-3794 Stüeken Eva ees4@st-andrews.ac.uk Garber Joshua Caillon Nicolas nicolas.caillon@univ-grenoble-alpes.fr 0000-0002-6318-6194 Savarino Joël joel.savarino@cnrs.fr 0000-0002-6708-9623 2026 Electrospray-Orbitrap Analysis of Nitrate and Sulfate Isotopologues in Natural Samples: Performance and Constraints journal article Analytical Chemistry 98(36) https://doi.org/10.1021/acs.analchem.6c00183 26323-26338 Lamothe Alexis 2024 Analyse isotopique de l’ammonium et du nitrate provenant de la carotte IceMemory du Col du Dôme (Mt-Blanc): Deux sentinelles des changements de la composition chimique de l’atmosphère de l’Europe occidentale au cours du siècle dernier [in French] dissertation Université Grenoble Alpes, France 6.85 6.85 45.8333 45.8333 6.85 45.8333 4236.0 4236.0 point European Research Council ERC https://erc.europa.eu https://doi.org/10.13039/501100000781 101054558 Deciphering the Oxidizing Capacity of the PAST atmosphere https://cordis.europa.eu/project/id/101054558/fr Col_du_Dome 45.8333 6.85 Mont Blanc massif 4236.0 Ice corer IC 126 m Drilled in 2016 3.1 CC-BY-4.0 Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/ File descriptions: Level 1 data raw files: Series of .RAW files are high-resolution mass spectra obtained by ESI-Orbitrap during an acquisition sequence, in M0 or no-M0 mode. Series of .isox files with the same file names as the .RAW files are csv-format tables containing isotopologue data extracted from .RAW files using IsoX software (Version 2022, Thermo Fisher) Metadata file sequence.csv lists the identity of each .RAW file, in addition to acquisition parameters, in a sequence. Level 4 treated data files: results_YYYY-MM-DD.xlsx for each M0 or no-M0 sequence, contains sheets tabulating injection average isotopologue ratios and metadata, bracketed isotopologue delta values for each sample injection and a summary of bracketed internal delta values where replicate analyses are averaged CdD16-xxxx-NO3_calibrated_M0+noM0_YYYY-MM-DD.xlsx, for each combination of M0 and noM0 results on the same sample batch, contains sheets tabulating uncalibrated delta values, calibrated delta values, and derived capital Delta values, as well as calibration metadata CdD16-xxxx-NO3_calibrated_M0-only_YYYY-MM-DD.xlsx, as above but for cases where only M0 data was available CurationLevelB Basic curation https://wiki.pangaea.de/wiki/Curation_levels citable clumped isotope Ice core isotope mass spectrometry nitrate Orbitrap author103391 author111390 author114690 author114691 author119304 author119305 author119306 author119307 author119308 author119309 author23145 author33341 author66930 award4788 curlevel20 event3349363 funder20666 geocode1600 geocode1601 geocode8128 journal957 license21 method12217 ref137691 ref137692 term39468 term47590 term47704 term49798 term60851 term68466 term728 topotype2