Rapid Assessment of Metabolomic Fingerprinting of Recycled Sunflower By-Products via DART-HRMS
Abstract
:1. Introduction
2. Results and Discussion
2.1. DART-HRMS Spectra
2.2. Effect of the Optimisation on the Most Informative DART-HRMS Ions
2.3. Multivariate Statistical Analysis of the DART-HRMS Fingerprintings
3. Materials and Methods
3.1. Preparation of the Sunflower Waste Processed Samples and Experimental Dataset
3.2. Fingerprinting Analysis by DART-HRMS
3.3. Statistical Analysis
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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m/z | m/z Theoretical Mass | Error (ppm) | Elemental Formula | Type of Ion | log2(FC) | Padj | Tentative Assignment |
---|---|---|---|---|---|---|---|
EWS | |||||||
150.0281 | − | − | C8H8O2 | [M − H]− | −4.197 | 0.023 | N/A |
207.0663 | 207.0663 | 0 | C11H12O4 | [M − H]− | −1.368 | 0.046 | Sinapaldehyde/Caffeic acid ethyl ester |
209.1185 | 209.1183 | 0.95 | C12H18O3 | [M − H]− | −1.660 | 0.023 | Jasmonic acid |
213.1134 | 213.1127 | − | C11H20O5 | [M – H − H2O]− | −1.175 | 0.036 | 1,2-Dibutyrin |
215.1289 | 215.1289 | 0 | C11H20O4 | [M − H]− | −1.760 | 0.023 | Butyl butyryllactate |
255.2332 | 255.233 | 0.78 | C16H32O2 | [M − H]− | −1.942 | 0.028 | Palmitic acid |
269.2126 | 269.2122 | 1.5 | C16H30O3 | [M − H]− | −2.029 | 0.015 | Oxohexadecanoic acid |
271.2282 | 271.2279 | 1.10 | C16H32O3 | [M − H]− | −1.741 | 0.022 | Hydroxypalmitic acid |
286.2153 | − | − | C7H6O3 | [M − H]− | −1.927 | 0.036 | N/A |
561.4891 | 561.4883 | 1.4 | C36H68O5 | [M – H − H2O]− | −1.605 | 0.023 | DG (15:0/0:0/18:1) |
OEWS | |||||||
133.0141 | 133.0142 | −0.7 | C4H6O5 | [M − H]− | 1.844 | 0.022 | Malic acid |
175.0614 | 175.0612 | 1.14 | C7H12O5 | [M − H]− | 2.546 | 0.015 | Diacylglycerol |
189.0769 | 189.0768 | 0.5 | C8H14O5 | [M − H]− | 2.298 | 0.015 | N/A |
195.0299 | 195.0299 | 0 | C9H8O5 | [M − H]− | 1.405 | 0.015 | Hydroxycaffeic acid |
233.0459 | 233.0450 | 3.8 | C12H10O5 | [M – H − H2O]− | 2.064 | 0.023 | Hydroxycinnamoyl-(x)-glyceric acid |
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Zacometti, C.; Lante, A.; Cisneros, M.; Massaro, A.; Mihaylova, D.; Chalova, V.; Krastanov, A.; Kalaydzhiev, H.; Riuzzi, G.; Tata, A.; et al. Rapid Assessment of Metabolomic Fingerprinting of Recycled Sunflower By-Products via DART-HRMS. Molecules 2024, 29, 4092. https://doi.org/10.3390/molecules29174092
Zacometti C, Lante A, Cisneros M, Massaro A, Mihaylova D, Chalova V, Krastanov A, Kalaydzhiev H, Riuzzi G, Tata A, et al. Rapid Assessment of Metabolomic Fingerprinting of Recycled Sunflower By-Products via DART-HRMS. Molecules. 2024; 29(17):4092. https://doi.org/10.3390/molecules29174092
Chicago/Turabian StyleZacometti, Carmela, Anna Lante, Miluska Cisneros, Andrea Massaro, Dasha Mihaylova, Vesela Chalova, Albert Krastanov, Hristo Kalaydzhiev, Giorgia Riuzzi, Alessandra Tata, and et al. 2024. "Rapid Assessment of Metabolomic Fingerprinting of Recycled Sunflower By-Products via DART-HRMS" Molecules 29, no. 17: 4092. https://doi.org/10.3390/molecules29174092