Skip to main content
SpringerLink
Log in

The wheat species profiling by non-targeted UPLC–ESI–TOF-MS analysis

  • Original Paper
  • Published:
European Food Research and Technology Aims and scope Submit manuscript

Abstract

To investigate differences in the metabolome between ancient and modern Triticum varieties, a total of 15 varieties each of bread and durum wheat, spelt, emmer, and einkorn were cultivated and harvested at four different locations (Seligenstadt, Hohenheim, Eckartsweier, and Oberer Lindenhof), and their acetonitrile extracts were analyzed by means of UPLC–TOF MSe. Nine marker metabolites were clearly identified using reference or surrogate standard compounds including di- and triacylglycerides as well as galactolipids and enabling the discrimination of wheat species and their growing location.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Fig. 1
Fig. 2
Fig. 3
Fig. 4
Fig. 5
Fig. 6

Similar content being viewed by others

References

  1. Longin CFH, Ziegler J, Schweiggert R, Koehler P, Carle R, Wuerschum T (2015) Comparative study of hulled (einkorn, emmer, and spelt) and naked wheats (durum and bread heat): agronomic performance and quality traits. Crop Sci 56:302–311

    Article  CAS  Google Scholar 

  2. Grausgruber H, Sailer C, Ghambashidze G, Bolyos L, Ruckenbauer P (2004) Genetic variation in agronomic and qualitative traits of ancient wheat. In: Vollmann J, Grausgruber H, Ruckenbauer P (eds) Genetic variation for plant breeding. Eucarpia & Boku-University of Natural Resources and Applied Sciences, Vienna, pp 19–22

    Google Scholar 

  3. Geisslitz S, Ludwig C, Scherf KA, Koehler P (2018) Targeted LC–MS/MS revealed similar contents of α-amylase/trypsin-inhibitors as putative triggers of nonceliac gluten sensitivity in all wheat species except einkorn. J Agric Food Chem 66:12395–12403

    Article  CAS  PubMed  Google Scholar 

  4. Ziegler JU, Flockerzie M, Longin CFH, Wuerschum T, Carle R, Schweiggert RM (2016) Development of lipophilic antioxidants and chloroplasts during the sprouting of diverse Triticum spp. J Agric Food Chem 64:913–922

    Article  CAS  PubMed  Google Scholar 

  5. Ziegler JU, Schweiggert RM, Wuerschum T, Longin CFH, Carle R (2016) Lipophilic antioxidants in wheat (Triticum spp.): a target for breeding new varieties for future functional cereal products. J Funct Foods 20:594–605

    Article  CAS  Google Scholar 

  6. Ziegler JU, Steingass CB, Longin CFH, Wuerschum T, Carle R, Schweiggert RM (2015) Alkylresorcinol composition allows the differentiation of Triticum spp. having different degrees of ploidy. J Cereal Sci 65:244–251

    Article  CAS  Google Scholar 

  7. Ziegler JU, Wahl S, Wuerschum T, Longin CFH, Carle R, Schweiggert RM (2015) Lutein and lutein esters in whole grain flours made from 75 genotypes of 5 triticum species grown at multiple sites. J Agric Food Chem 63:5061–5071

    Article  CAS  PubMed  Google Scholar 

  8. Ziegler JU, Schweiggert RM, Carle R (2015) A method for the simultaneous extraction and quantitation of lipophilic antioxidants in Triticum sp. by HPLC-DAD/FLD-MSn. J Food Compos Anal 39:94–102

    Article  CAS  Google Scholar 

  9. Stark TD, Loesch S, Wakamatsu J, Balemba OB, Frank O, Hofmann T (2015) UPLC-ESI-TOF MS based metabolite profiling of the antioxidative food supplement Garcinia buchananii. J Agric Food Chem 63:7169–7179

    Article  CAS  PubMed  Google Scholar 

  10. Stark T, Marxen S, Ruetschle A, Luecking G, Scherer S, Ehling-Schulz M, Hofmann T (2013) Mass spectrometric profiling of Bacillus cereus strains and quantitation of the emetic toxin cereulide by means of stable isotope dilution analysis and HEp-2 bioassay. Anal Bioanal Chem 405:191–201

    Article  CAS  PubMed  Google Scholar 

  11. Stark T, Wollmann N, Loesch S, Hofmann T (2011) Quantitation of resveratrol in red wines by means of stable isotope dilution analysis-ultra-performance liquid chromatography-quan-time-of-flight mass spectrometry and cross validation. Anal Chem 83:3398–3405

    Article  CAS  PubMed  Google Scholar 

  12. Stark TD, Angelov A, Hofmann M, Liebl W, Hofmann T (2013) Comparative direct infusion ion mobility mass spectrometry profiling of Thermus thermophilus wild-type and mutant ΔcruC carotenoid extracts. Anal Bioanal Chem 405:9843–9848

    Article  CAS  PubMed  Google Scholar 

  13. Stark TD, Ranner J, Stiglbauer B, Weiss P, Stark S, Balemba OB, Hofmann T (2019) Construction and application of a database for a five dimensional identification of natural compounds in Garcinia species by means of UPLC-ESI-TWIMS-TOF-MS–Introducing gas phase polyphenol conformer drift time distribution intensity ratios. J Agric Food Chem 67:975–985. https://doi.org/10.1021/acs.jafc.8b06157

    Article  CAS  PubMed  Google Scholar 

  14. Righetti L, Rubert J, Galaverna G, Folloni S, Ranieri R, Stranska-Zachariasova M, Hajslova J, Dall’Asta C (2016) Characterization and discrimination of ancient grains: a metabolomics approach. Int J Mol Sci 17:1217. https://doi.org/10.3390/ijms17081217

    Article  CAS  PubMed Central  Google Scholar 

  15. Righetti L, Rubert J, Galaverna G, Hurkova K, Dall’Asta C, Hajslova J, Stranska-Zachariasova M (2018) A novel approach based on untargeted lipidomics reveals differences in the lipid pattern among durum and common wheat. Food Chem 240:775–783. https://doi.org/10.1016/j.foodchem.2017.08.020

    Article  CAS  PubMed  Google Scholar 

  16. Geng P, Harnly JM, Chen P (2015) Differentiation of whole grain from refined wheat (T. aestivum) flour using lipid profile of wheat bran, germ, and endosperm with UHPLC-HRAM mass spectrometry. J Agric Food Chem 63:6189–6211. https://doi.org/10.1021/acs.jafc.5b01599

    Article  CAS  PubMed  Google Scholar 

  17. Selmair PL, Koehler P (2008) Baking performance of synthetic glycolipids in comparison to commercial surfactants. J Agric Food Chem 56:6691–6700

    Article  CAS  PubMed  Google Scholar 

Download references

Acknowledgements

This research project was supported by the German Ministry of Economics and Energy (via AiF) and the FEI (Forschungskreis der Ernährungsindustrie e.V., Bonn). Project AiF18355 N. The authors specially thank the State Plant Breeding Institute (University of Hohenheim, Stuttgart) for cultivating and providing the wheat samples used in this study.

Author information

Authors and Affiliations

  1. Lehrstuhl für Lebensmittelchemie und Molekulare Sensorik, Technische Universität München, Lise-Meitner-Str. 34, 85354, Freising, Germany

    Timo D. Stark, Patrick Weiss, Ludwig Friedrich & Thomas Hofmann

Authors
  1. Timo D. Stark
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Patrick Weiss
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Ludwig Friedrich
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. Thomas Hofmann
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Thomas Hofmann.

Ethics declarations

Conflict of interest

The authors declare no competing financial interest.

Compliance with ethics requirements

This article does not contain any studies with human or animal subjects.

Additional information

Publisher's Note

Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.

Electronic supplementary material

Below is the link to the electronic supplementary material.

217_2020_3517_MOESM1_ESM.doc

S-plots, mixture distribution of DGDG and MGDG as well as UPLC-ESI-TOF MSe analysis and fragment spectra. Supplementary material 1 (DOC 6272 kb)

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Stark, T.D., Weiss, P., Friedrich, L. et al. The wheat species profiling by non-targeted UPLC–ESI–TOF-MS analysis. Eur Food Res Technol 246, 1617–1626 (2020). https://doi.org/10.1007/s00217-020-03517-9

Download citation

  • Received:

  • Revised:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s00217-020-03517-9

Keywords

Search

Navigation