Flavor Profiling Using Comprehensive Mass Spectrometry Analysis of Metabolites in Tomato Soups
Abstract
:1. Introduction
2. Materials and Methods
2.1. Soup Composition
2.2. Sensory Analysis Description
2.3. Liquid Chromatography–Mass Spectrometry
2.4. Gas Chromatography–Mass Spectrometry
2.5. Sensory Data Processing
2.6. Statistical Analysis
3. Results
3.1. Explorative Analysis
3.2. Classification Performance of the Soup Compositions on All Platforms
3.3. Discriminative Performance of the Sensory Panel
3.4. Relationship between Metabolomics Platforms and Sensory Attributes
3.5. Annotation of Features in LC-MS and GC-MS
4. Discussion
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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Onion Flavor | Garlic Flavor | Umami Flavor | Intensity Flavor | |||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|
No. | Feature | Putative Identification 1 | Id. Level 2 | Feature | Putative Identification 1 | Id. Level 2 | Feature | Putative Identification 1 | Id. Level 2 | Feature | Putative Identification 1 | Id. Level 2 |
1 | X1313 X71 | γ-Glu-Met 3 | 4 | X177 | Met-Pro | 1 4 | X1414 | 5’-S-Acetyl-2’-deoxy-5’-thiouridine 3 | 4 | X1163 | PC(16:1/2:0) or an isomer | 4 |
2 | X1317 | γ-Glu-Val | 4 | X141 | N-monopropionyl-cystine | 4 | X1650 | Ribose-isoleucine product | 4 | X151 | Asp-Leu | 1 4 |
3 | X1544 X280 | γ-Glu-Leu or -Ile 3 | 3 | X36 | Isomer of S-allyl-Cys | 3 5 | X153 | N2,N2-Dimethylguanosine | 4 | X1787 | Gln-Gln-His-His | 4 |
4 | X28 | γ-Glu-aminopropiononitrile | 4 | X152 | S-(allylthio)-Cys | 4 | X2033 | Gln-Val-Lys-Glu-Leu | 5 | X2223 | Feruloyltyramine | 4 |
5 | X216 | methyl xanthine derivative | 4 | X1908 X663 | Modified Ala-Ala peptide 3 | 4 | X893 | Ala-Ala-Pro-Val-Ala-Ala-Lys | 5 | X418 | Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid (MTCA) | 4 |
Onion Flavor | Garlic Flavor | Umami Flavor | |||||||
---|---|---|---|---|---|---|---|---|---|
No. | Feature | Putative Identification/Annotated Formula | Id. Level 1 | Feature | Putative Identification/Annotated Formula | Id. Level 1 | Feature | Putative Identification/Annotated Formula | Id. Level 1 |
1 | SPME362 | 3-Methylthiophene | 2 | SPME5189 | C8H12N2 | 3 | SPME3741 | 3-Carene | 2 |
2 | SPME3540 | Trimethylpyrazine | 2 | SPME2617 | C6H16N2 | 3 | SPME8427 | Δ-Elemene | 2 |
3 | SPME2617 | C6H16N2 | 3 | SPME6357 | C8H10N2O | 3 | SPME8624 | α-Cubebene | 2 |
4 | SPME4906 | C8H8O2 | 3 | SPME6926 | C6H8S2 | 4 | SPME4062 | D-Limonene | 1 |
5 | SPME2106 | C4H6O | 4 | SPME8203 | Di-allyl-trisulfide | 2 | SPME4134 | β-Phellandrene | 2 |
Intensity Flavor | Intensity Odor | Tomato Odor | |||||||
No. | Feature | Putative Identification/Annotated Formula | Id. Level 1 | Feature | Putative Identification/Annotated Formula | Id. Level 1 | Feature | Putative Identification/Annotated Formula | Id. Level 1 |
1 | SPME8112 | C13H28 | 4 | SPME8112 | 3-Methylthiophene | 2 | SPME5189 | C8H12N2 | 3 |
2 | SPME7856 | α-Ethylidene-benzeneacetaldehyde | 2 | SPME7856 | C4H6O | 4 | SPME1092 | C7H12O | 3 |
3 | SPME4788 | 4-Methyl-benzaldehyde, | 2 | SPME4788 | C6H16N2 | 3 | SPME7223 | C5H7BrO | 4 |
4 | SPME5834 | C11H20 | 4 | SPME5834 | 2-Methyl-2-butenal | 2 | SPME7181 | C3H4S3 | 4 |
5 | SPME3115 | C8H14O2 | 3 | SPME3115 | Dimethyl-disulfide | 1 | SPME4823 | 3-Ethyl-2,5-dimethylpyrazine | 2 |
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Leygeber, S.; Grossmann, J.L.; Diez-Simon, C.; Karu, N.; Dubbelman, A.-C.; Harms, A.C.; Westerhuis, J.A.; Jacobs, D.M.; Lindenburg, P.W.; Hendriks, M.M.W.B.; et al. Flavor Profiling Using Comprehensive Mass Spectrometry Analysis of Metabolites in Tomato Soups. Metabolites 2022, 12, 1194. https://doi.org/10.3390/metabo12121194
Leygeber S, Grossmann JL, Diez-Simon C, Karu N, Dubbelman A-C, Harms AC, Westerhuis JA, Jacobs DM, Lindenburg PW, Hendriks MMWB, et al. Flavor Profiling Using Comprehensive Mass Spectrometry Analysis of Metabolites in Tomato Soups. Metabolites. 2022; 12(12):1194. https://doi.org/10.3390/metabo12121194
Chicago/Turabian StyleLeygeber, Simon, Justus L. Grossmann, Carmen Diez-Simon, Naama Karu, Anne-Charlotte Dubbelman, Amy C. Harms, Johan A. Westerhuis, Doris M. Jacobs, Peter W. Lindenburg, Margriet M. W. B. Hendriks, and et al. 2022. "Flavor Profiling Using Comprehensive Mass Spectrometry Analysis of Metabolites in Tomato Soups" Metabolites 12, no. 12: 1194. https://doi.org/10.3390/metabo12121194