{
  "abstract": "Stable carbon isotope ratio measurements (δ13C) are traditionally performed by isotope ratio mass spectrometry (IRMS), but recent advances in high-resolution Orbitrap mass spectrometry (Orbitrap MS) enable molecular-level isotope ratio analyses without conversion to simple gases. Here, we systematically evaluate and compare three sample-introduction strategies for Orbitrap-MS-based δ13C determination of benzoic acid─dual-inlet (DI), single-inlet (SI), and automated HPLC flow-injection (column-free mode)─assessing how each governs measurement accuracy and precision. Analyses were performed using paired injections of an isotopically certified benzoic acid reference (IAEA-601) and a benzoic acid sample previously characterized by elemental analysis-IRMS (EA-IRMS), following a seven-block bracketing sequence (Ref-Smp-Ref-Smp-Ref-Smp-Ref) to minimize temporal drift and to generate within-run triplicates. Across all configurations, high analytical precision was achieved, within-block relative standard error (σRSE) consistently below approximately 0.6‰. Under DI conditions, replicate means closely approached the EA-IRMS benchmark (-27.77‰), with residuals of -0.40 to +0.50‰ on the Exploris 240 and -0.58 to -2.73‰ on the Q Exactive. SI analysis enabled the acquisition of a higher number of individual scans per block, contributing to lower σRSE (approximately 0.50-0.65‰) but exhibited larger accuracy offsets (residuals up to approximately 1-3‰), indicating greater susceptibility to systematic bias. Automated HPLC injection on the Exploris 240, optimized for concentration and AGC (50 μmol L-1 and 2.5 × 105, respectively), delivered δ13C values of 28.1‰, -27.19‰, and -27.79‰ (residuals of approximately 0.20-0.45‰) with no significant differences among replicate means (ANOVA/Tukey, 95% confidence level). Collectively, these findings confirm Orbitrap-MS as a reliable alternative to IRMS for δ13C analysis of benzoic acid, and reveal that the choice of injection strategy is the primary determinant of the accuracy-precision-throughput balance achievable with this platform.",
  "abstract_shown": true,
  "affiliations": [
    "Chemistry Institute, Federal University of Goiás, Goiânia74690-900, Brazil.",
    "UNIFAL, Universidade Federal de Alfenas, Alfenas37130-001, Minas Gerais, Brazil.",
    "PETROBRAS Research and Development Center (CENPES), PETROBRAS , Rio de Janeiro21941-915, Brazil."
  ],
  "article_type": "research article",
  "arxiv": null,
  "author_total": 8,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Giovanni B Bevilaqua",
      "orcid": "0000-0002-9210-870X"
    },
    {
      "affs": [
        0
      ],
      "name": "Hugo G Machado"
    },
    {
      "affs": [
        0
      ],
      "name": "Júlio C O Ribeiro",
      "orcid": "0000-0002-1157-6609"
    },
    {
      "affs": [
        1
      ],
      "name": "Nerilson Marques Lima",
      "orcid": "0000-0001-9669-0306"
    },
    {
      "affs": [
        2
      ],
      "name": "Alexandre A Ferreira",
      "orcid": "0000-0001-6257-960X"
    },
    {
      "affs": [
        2
      ],
      "name": "Ygor S Rocha"
    },
    {
      "affs": [
        0
      ],
      "name": "Gabriel F Dos Santos",
      "orcid": "0000-0002-4155-6238"
    },
    {
      "affs": [
        0
      ],
      "name": "Boniek Gontijo",
      "orcid": "0000-0003-1197-4284"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/0wffd1s02h3z8.bib",
  "cited_by": 0,
  "doi": "10.1021/jasms.6c00221",
  "fulltext_url": "https://europepmc.org/articles/PMC13651617",
  "id": "0wffd1s02h3z8",
  "issns": [
    "1044-0305",
    "1879-1123"
  ],
  "landing_url": "https://europepmc.org/article/MED/42916763",
  "language": "eng",
  "licence": "CC-BY",
  "licence_label": "CC BY",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "1607|Mass Spectrometry Techniques and Applications"
    ]
  ],
  "openalex": "W7212315399",
  "pdf_url": "https://europepmc.org/articles/PMC13651617?pdf=render",
  "pmcid": "PMC13651617",
  "pmid": "42916763",
  "published": "2026-10-01",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/0wffd1s02h3z8.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:20:36Z",
      "native_id": "MED:42916763",
      "source": "europepmc",
      "url": "https://europepmc.org/article/MED/42916763"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:1607|Mass Spectrometry Techniques and Applications",
      "subfield": "physical"
    }
  ],
  "title": "δ13C Determination of Benzoic Acid by High-Resolution Orbitrap MS: How Sample Introduction Strategy Governs Accuracy and Precision.",
  "title_text": "δ13C Determination of Benzoic Acid by High-Resolution Orbitrap MS: How Sample Introduction Strategy Governs Accuracy and Precision.",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:20:36Z",
  "url": "https://research.draconitic.com/paper/0wffd1s02h3z8",
  "venue": "Journal of the American Society for Mass Spectrometry",
  "versions": []
}