Student or educator? Sign up with your school email and get 6 months of Pro free.
CoChat
Sign Up
Cited by 455

The DOI matches its Crossref record.

Natural Organic Matter and the Event Horizon of Mass Spectrometry

Hertkorn, N., Frommberger, M., Witt, M., Koch, B. P., Schmitt-Kopplin, Ph., Perdue, E. M.·2008·Analytical Chemistry
DOI 10.1021/ac800464g
Open this paper in CoChat — free account

Abstract

Soils, sediments, freshwaters, and marine waters contain natural organic matter (NOM), an exceedingly complex mixture of organic compounds that collectively exhibit a nearly continuous range of properties (size-reactivity continuum). NOM is composed mainly of carbon, hydrogen, and oxygen, with minor contributions from heteroatoms such as nitrogen, sulfur, and phosphorus. Suwannee River fulvic acid (SuwFA) is a fraction of NOM that is relatively depleted in heteroatoms. Ultrahigh resolution Fourier transform ion cyclotron (FTICR) mass spectra of SuwFA reveal several thousand molecular formulas, corresponding in turn to several hundred thousand distinct chemical environments of carbon even without accountancy of isomers. The mass difference deltam among adjoining C,H,O-molecules between and within clusters of nominal mass is inversely related to molecular dissimilarity: any decrease of deltam imposes an ever growing mandatory difference in molecular composition. Molecular formulas that are expected for likely biochemical precursor molecules are notably absent from these spectra, indicating that SuwFA is the product of diagenetic reactions that have altered the major components of biomass beyond the point of recognition. The degree of complexity of SuwFA can be brought into sharp focus through comparison with the theoretical limits of chemical complexity, as constrained and quantized by the fundamentals of chemical binding. The theoretical C,H,O-compositional space denotes the isomer-filtered complement of the entire, very vast space of molecular structures composed solely of carbon, hydrogen, and oxygen. The molecular formulas within SuwFA occupy a sizable proportion of the theoretical C,H,O-compositional space. A 100 percent coverage of the theoretically feasible C,H,O-compositional space by SuwFA molecules is attained throughout a sizable range of mass and H/C and O/C elemental ratios. The substantial differences between (and complementarity of) the SuwFA molecular formulas that are observed using six different modes of ionization (APCI, APPI, and ESI in positive and negative modus) imply considerable selectivity of the ionization process and suggest that the observed mass spectra represent simplified projections of still more complex mixtures.

Overview

The claims and statistics of this paper haven’t been checked yet.

Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.

A few free checks a day · papers already verified open instantly · results are public

Integrity signals

Registry

Crossref · 10.1021/ac800464g

Cites

Statistics

Verification

Claims the paper makes

The claims and statistics of this paper haven’t been checked yet.

Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.

A few free checks a day · papers already verified open instantly · results are public

Self-check

Percentages, sums and reported differences re-computed from the paper’s own numbers.

The self-check needs the paper’s full text.

Citations

Cites

No references could be resolved yet.

Research works printed but not linked: 72

  1. Hertkorn N., 2007, Anal. Bioanal. Chem., 389, 1311, 10.1007/s00216-007-1577-4 · DOI · Paper page
  2. Petit-Zeman, S.Exploring Biological Space. Horizon Symposium, Black Point Inn, Maine, Charting Chemical Space: Finding New Tools to Explore Biology.Nature Publishing Group,2004;1−3.
  3. Bohacek R. S., 1996, Med. Res. Rev., 16, 3, 10.1002/(SICI)1098-1128(199601)16:1<3::AID-MED1>3.0.CO;2-6 · doi:10.1002/(sici)1098-1128(199601)16:1<3::aid-med1>3.0.co;2-6
  4. Burke M. D., 2004, Angew. Chem., Int. Ed., 43, 46, 10.1002/anie.200300626 · DOI · Paper page
  5. Dobson C. M., 2004, Nature, 432, 824, 10.1038/nature03192 · DOI · Paper page
  6. Ertl P., 2003, J. Chem. Inf. Comput. Sci., 43, 374, 10.1021/ci0255782 · DOI · Paper page
  7. Fink T., 2005, Angew. Chem., Int. Ed., 44, 1504, 10.1002/anie.200462457 · DOI · Paper page
  8. Fink T., 2007, J. Chem. Inf. Model., 47, 342, 10.1021/ci600423u · DOI · Paper page
  9. Koch B. P., 2005, Geochim. Cosmochim. Acta, 69, 3299, 10.1016/j.gca.2005.02.027 · DOI · Paper page
  10. Nielsen T. E., 2008, Angew. Chem., Int. Ed., 47, 48, 10.1002/anie.200703073 · DOI · Paper page
  11. Paolini G. V., 2006, Nat. Biotechnol., 24, 805, 10.1038/nbt1228 · DOI · Paper page
  12. Paton R. S., 2007, J. Chem. Inf. Model., 47, 2124, 10.1021/ci700246b · DOI
  13. Schreiber S. L., 2000, Science, 287, 1964, 10.1126/science.287.5460.1964 · DOI · Paper page
  14. Wang M. L., 2006, J. Am. Chem. Soc., 128, 3228, 10.1021/ja0572046 · DOI
  15. Larsson J., 2007, J. Nat. Prod., 70, 789, 10.1021/np070002y · DOI · Paper page
  16. Schuffenhauer A., 2006, J. Chem. Inf. Model., 46, 525, 10.1021/ci0503558 · DOI
  17. Schurer S. C., 2005, J. Chem. Inf. Model., 45, 239, 10.1021/ci0496853 · DOI
  18. Sutherland J. J., 2008, J. Med. Chem., 51, 2689, 10.1021/jm701399f · DOI
  19. Schuffenhauer A., 2007, J. Chem. Inf. Model., 47, 325, 10.1021/ci6004004 · DOI
  20. Lipkus A. H., 2008, J. Org. Chem., 73, 4443, 10.1021/jo8001276 · DOI · Paper page
  21. Barnes C. A. S., 2002, Anal. Chem., 74, 26, 10.1021/ac0108562 · DOI
  22. Koeniger S. L., 2006, Anal. Chem., 78, 4161, 10.1021/ac051060w · DOI · Paper page
  23. Trimpin S., 2007, Anal. Chem., 79, 7965, 10.1021/ac071575i · doi:10.1021/ac071575i
  24. Meija J., 2006, Anal. Bioanal. Chem., 385, 486, 10.1007/s00216-006-0298-4 · DOI
  25. Hughey C. A., 2001, Anal. Chem., 73, 4676, 10.1021/ac010560w · DOI · Paper page
  26. Kendrick E., 1963, Anal. Chem., 35, 2146, 10.1021/ac60206a048 · DOI · Paper page
  27. Kim S., 2003, Anal. Chem., 75, 5336, 10.1021/ac034415p · DOI · Paper page
  28. Visser S. A., 1983, Environ. Sci. Technol., 17, 412, 10.1021/es00113a010 · DOI
  29. Wu Z. G., 2004, Anal. Chem., 76, 2511, 10.1021/ac0355449 · DOI · Paper page
  30. MacCarthy P., 2001, Soil Sci., 166, 738, 10.1097/00010694-200111000-00003 · DOI · Paper page
  31. Koch M. A., 2005, Proc. Natl. Acad. Sci. U.S.A., 102, 17272, 10.1073/pnas.0503647102 · DOI · Paper page
  32. Kujawinski E. B., 2002, Environ. Forensics, 3, 207, 10.1080/713848382 · DOI
  33. Stenson A. C., 2003, Anal. Chem., 75, 1275, 10.1021/ac026106p · DOI · Paper page
  34. Kujawinski E. B., 2002, Org. Geochem., 33, 171, 10.1016/S0146-6380(01)00149-8 · DOI · Paper page
  35. Plancque G., 2001, Rapid Commun. Mass Spectrom., 15, 827, 10.1002/rcm.307 · DOI
  36. Reemtsma T., 2005, Environ. Sci. Technol., 39, 3507, 10.1021/es0480466 · doi:10.1021/es0480466
  37. These A., 2003, Anal. Chem., 75, 6275, 10.1021/ac034399w · doi:10.1021/ac034399w
  38. Koch B. P., 2007, Anal. Chem., 79, 1758, 10.1021/ac061949s · DOI · Paper page
  39. Mopper K., 2007, Chem. Rev., 107, 419, 10.1021/cr050359b · DOI · Paper page
  40. Kujawinski E. B., 2006, Anal. Chem., 78, 4363, 10.1021/ac0600306 · DOI · Paper page
  41. Cai S. S., 2006, J. Chromatogr., A, 1110, 15, 10.1016/j.chroma.2006.01.050 · doi:10.1016/j.chroma.2006.01.050
  42. Hanold K. A., 2004, Anal. Chem., 76, 2842, 10.1021/ac035442i · doi:10.1021/ac035442i
  43. Keski-Hynnila H., 2002, Anal. Chem., 74, 3449, 10.1021/ac011239g · doi:10.1021/ac011239g
  44. Kramer R. W., 2004, Environ. Sci. Technol., 38, 3387, 10.1021/es030124m · DOI · Paper page
  45. Sleighter R. L., 2007, J. Mass Spectrom., 42, 559, 10.1002/jms.1221 · doi:10.1002/jms.1221
  46. Dittmar T., 2007, Mar. Chem., 107, 378, 10.1016/j.marchem.2007.04.006 · doi:10.1016/j.marchem.2007.04.006
  47. Einsiedl F., 2007, Geochim. Cosmochim. Acta, 71, 5474, 10.1016/j.gca.2007.09.024 · DOI
  48. Koch B. P., 2006, Rapid Commun. Mass Spectrom., 20, 926, 10.1002/rcm.2386 · DOI · Paper page
  49. Hockaday W. C., 2007, Geochim. Cosmochim. Acta, 71, 3432, 10.1016/j.gca.2007.02.023 · DOI · Paper page
  50. Hertkorn N., 2002, J. Environ. Qual., 31, 375, 10.2134/jeq2002.3750 · DOI
  51. Reemtsma T., 2006, Environ. Sci. Technol., 40, 5839, 10.1021/es060318c · DOI
  52. Ritchie J. D., 2003, Geochim. Cosmochim. Acta, 67, 85, 10.1016/S0016-7037(02)01044-X · DOI · Paper page
  53. Cabaniss S. E., 2005, Biogeochemistry, 76, 319, 10.1007/s10533-005-6895-z · doi:10.1007/s10533-005-6895-z
  54. Cabaniss S. E., 2007, Biogeochemistry, 86, 269, 10.1007/s10533-007-9159-2 · doi:10.1007/s10533-007-9159-2
  55. Dittmar T., 2003, Mar. Chem., 82, 115, 10.1016/S0304-4203(03)00068-9 · doi:10.1016/s0304-4203(03)00068-9
  56. Hertkorn N., 2006, Geochim. Cosmochim. Acta, 70, 2990, 10.1016/j.gca.2006.03.021 · DOI · Paper page
  57. Dickens A. F., 2004, Nature, 427, 336, 10.1038/nature02299 · DOI · Paper page
  58. Knicker H., 2005, Org. Geochem., 36, 1359, 10.1016/j.orggeochem.2005.06.006 · DOI
  59. Hsu P. H., 2005, Geochim. Cosmochim. Acta, 69, 4521, 10.1016/j.gca.2005.05.005 · DOI
  60. Hsu P. H., 2006, Org. Geochem., 37, 1694, 10.1016/j.orggeochem.2006.07.026 · doi:10.1016/j.orggeochem.2006.07.026
  61. Lam B., 2007, Environ. Sci. Technol., 41, 8240, 10.1021/es0713072 · DOI · Paper page
  62. He F., 2004, J. Proteome Res., 3, 61, 10.1021/pr034058z · DOI
  63. Kim S., 2006, Int. J. Mass Spectrom., 251, 260, 10.1016/j.ijms.2006.02.001 · DOI · Paper page
  64. Reemtsma T., 2008, Environ. Sci. Techol., 42, 1430, 10.1021/es7021413 · DOI
  65. Davies R. E., 1989, J. Chem. Educ., 66, 278, 10.1021/ed066p278 · doi:10.1021/ed066p278
  66. Wieland T., 1996, J. Chem. Inf. Comput. Sci., 36, 413, 10.1021/ci9502663 · DOI
  67. Perdue E. M., 2003, Dissolved Organic Matter in Fresh Water
  68. Crockford D. J., 2006, Anal. Chem., 78, 363, 10.1021/ac051444m · DOI · Paper page
  69. Smith L. M., 2007, Anal. Chem., 79, 5682, 10.1021/ac0703754 · DOI
  70. Benner R., 2002, Chemical Composition and Reactivity in Biogeochemistry of Marine Dissolved Organic Matter
  71. Hedges J. I., 2000, Org. Geochem., 31, 945, 10.1016/S0146-6380(00)00096-6 · DOI · Paper page
  72. Hedges J. I., 1997, Org. Geochem., 27, 319, 10.1016/S0146-6380(97)00056-9 · DOI · Paper page

Cited by

See all 455

Metadata

Authors
Hertkorn, N., Frommberger, M., Witt, M., Koch, B. P., Schmitt-Kopplin, P., & Perdue, E. M.
Venue
Analytical Chemistry
Publisher
American Chemical Society (ACS)
Published
2008-10-28
Volume
80
Issue
23
Pages
8908-8919
ISSN
  • 0003-2700 (ISSN-L)
  • 1520-6882
DOI
10.1021/ac800464g
OpenAlex
W2005246793
Cited by
455
References
0
FWCI
6.66
Type
journal article
Language
en
Open access
closed

About these checks

Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.

Statistics and arithmetic are recomputed, not judged.

Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.

What counts as a claim ›How we measure confidence ›How we check this ›

Are you an author, or do you see a problem with this page? Request a review

How to cite

Cite CoChat for the checks on this page, and the paper for its own findings.

This page
CoChat. (2026). Citation check: Natural Organic Matter and the Event Horizon of Mass Spectrometry. https://app.cochat.ai/papers/10.1021/ac800464g
The paper
Hertkorn, N., Frommberger, M., Witt, M., Koch, B. P., Schmitt-Kopplin, P., & Perdue, E. M. (2008). Natural Organic Matter and the Event Horizon of Mass Spectrometry. Analytical Chemistry. https://doi.org/10.1021/ac800464g

Data sources

Bibliographic data: Semantic Scholar, OpenAlex, Crossref.

Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).

Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.