Submitted:
27 July 2026
Posted:
28 July 2026
You are already at the latest version
Abstract
Keywords:
1. Introduction
2. Materials and Methods
2.1. Main Chemicals
2.2. Plant Materials
2.3. Characterization of Tea Samples
2.4. Analysis of Volatile Metabolites in Tea Samples Based on HS-SPME-GC/MS
2.4.1. Headspace Solid-Phase Microextraction Conditions
2.4.2. Chromatographic and Mass Spectrometry Conditions
2.4.3. Qualitative and Quantitative Methods for Volatile Compounds
2.4.4. Relative Odor Activity Value
2.5. Statistical Analysis
3. Results and Discussion
3.1. Analysis of Major Quality Components in Different Tea Cultivars
3.2. Analysis of Volatile Aromatic Compounds in Different Tea Cultivars
3.3. Confirmation of Odor-Active Compounds in Six Tea Cultivars
3.4. Analysis of the Potential Regulatory Relationship Between Amino Acids and Tea Polyphenols on the Accumulation of Key Volatile Aromatic Compounds
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Conflicts of Interest
Acknowledgments
Abbreviations
| CC4H | Chuancha 4 |
| SLX | Shilixiang |
| SMCY | Siming Cuiya |
| HJC1 | Huangjincha 1 |
| QM601 | Qianmei 601 |
| GZSC | Guizhou Zise Tea |
| HS-SPME | headspace solid-phase microextraction |
| GC/MS | gas chromatography-mass spectrometry |
| DVB/CWR/PDMS | divinylbenzene/carbon wide range/polydimethylsiloxane |
| ROAV | the relative odor activity value |
| OPLS-DA | Orthogonal partial least squares discriminant analysis |
Appendix A
Appendix A.1
| Metabolite | Odour | CAS ID | Threshold (μg/L or μg/kg) | References |
| Nonanal | waxy; fatty; citrus; rose; fat; orange peel; grapefruit; green; fish; fresh; orris; aldehydic; lime | 124-19-6 | 1.1 | Chen, H. Y., Ying, J. Q., An, H. M., Chen, Y., Huang, Y. W., Jiang, Y. C., Wang, S. R., Bai, S. L., Li, S., Huang, J. A., & Liu, Z. H. (2025). Chinese Jasmine Tea: The Harmonious Intertwining of Tea and Jasmine Fragrance. Comprehensive reviews in food science and food safety, 24(4), e70210. https://doi.org/10.1111/1541-4337.70210. |
| Hexanal | fatty; leafy; fat; sweaty; green; tallow; fresh; grass; aldehydic; fruity | 66-25-1 | 4.5 | Xu, J., Zhang, Y., Yan, F., Tang, Y., Yu, B., Chen, B., Lu, L., Yuan, L., Wu, Z., & Chen, H. (2022). Monitoring Changes in the Volatile Compounds of Tea Made from Summer Tea Leaves by GC-IMS and HS-SPME-GC-MS. Foods (Basel, Switzerland), 12(1), 146. https://doi.org/10.3390/foods12010146. |
| β-Cyclocitral | rose oxide; tobacco; sweet; saffron; tropical; minty; clean; herbal; damascone; mint; fruity | 432-25-7 | 3 | Chen, H., Jiang, R., An, H., Xu, H., Ou, X., Wang, K., Chen, Y., Jiang, Y., Li, S., Huang, J., & Liu, Z. (2026). Characterization of key odor-active volatiles in jasmine green tea by sensomics and chemometrics. Food chemistry: X, 34, 103695. https://doi.org/10.1016/j.fochx.2026.103695. |
| Benzaldehyde | cherry; vanilla; almond; fruity; sweet; caramel; sharp; strong; bitter; bitter almond | 100-52-7 | 0.024 | Guo, X., Schwab, W., Ho, C. T., Song, C., & Wan, X. (2022). Characterization of the aroma profiles475 of oolong tea made from three tea cultivars by both GC-MS and GC-IMS. Food Chemistry, 376:476 131933. http://doi.org/10.1016/j.foodchem.2021.131933. |
| 2-Methylbutyraldehyde | coffee; malty; almond; musty; cocoa; nutty | 96-17-3 | 1.5 | Cui, L., Wang, X., He, C., Liu, Z., & Liang, J. (2024). Effect of puffing treatment on volatile components of green tea explored by gas chromatography-mass spectrometry and gas chromatography-olfactometry. Food chemistry: X, 23, 101746. https://doi.org/10.1016/j.fochx.2024.101746. |
| Octanal | waxy; lemon; fatty; citrus; fat; orange peel; green; aldehydic; soapy | 124-13-0 | 0.8 | Chen, H., Jiang, R., An, H., Xu, H., Ou, X., Wang, K., Chen, Y., Jiang, Y., Li, S., Huang, J., & Liu, Z. (2026). Characterization of key odor-active volatiles in jasmine green tea by sensomics and chemometrics. Food chemistry: X, 34, 103695. https://doi.org/10.1016/j.fochx.2026.103695. |
| Heptanal | fatty; citrus; wine-lee; fat; rancid; ozone; green; herbal; fresh; aldehydic | 111-71-7 | 2.8 | Chen, H., Jiang, R., An, H., Xu, H., Ou, X., Wang, K., Chen, Y., Jiang, Y., Li, S., Huang, J., & Liu, Z. (2026). Characterization of key odor-active volatiles in jasmine green tea by sensomics and chemometrics. Food chemistry: X, 34, 103695. https://doi.org/10.1016/j.fochx.2026.103695. |
| Tetradecanal | dry; musky; flower; fatty; waxy; incense; wax; citrus peel | 124-25-4 | 67 | Li, H., Chen, J., Zhang, Y., Jiang, Y., Sun, D., Piao, C., Li, T., Wang, J., Li, H., Mu, B., & Li, G. (2024). Evaluation of the flavor profiles of Yanbian-style sauced beef from differently treated raw beef samples. Food chemistry: X, 22, 101505. https://doi.org/10.1016/j.fochx.2024.101505. |
| Safranal | phenolic; spicy; tobacco; sweet; metallic; herbal; fresh; rosemary | 116-26-7 | 3 | Xu, J., Zhang, Y., Yan, F., Tang, Y., Yu, B., Chen, B., Lu, L., Yuan, L., Wu, Z., & Chen, H. (2022). Monitoring Changes in the Volatile Compounds of Tea Made from Summer Tea Leaves by GC-IMS and HS-SPME-GC-MS. Foods (Basel, Switzerland), 12(1), 146. https://doi.org/10.3390/foods12010146. |
| Isovaleraldehyde | fatty; peach; malty; chocolate; sour; aldehydic | 590-86-3 | 0.5 | Cui, L., Wang, X., He, C., Liu, Z., & Liang, J. (2024). Effect of puffing treatment on volatile components of green tea explored by gas chromatography-mass spectrometry and gas chromatography-olfactometry. Food chemistry: X, 23, 101746. https://doi.org/10.1016/j.fochx.2024.101746. |
| Decanal | waxy; citrus; sweet; orange peel; tallow; aldehydic; soapy | 112-31-2 | 3 | Chen, H., Jiang, R., An, H., Xu, H., Ou, X., Wang, K., Chen, Y., Jiang, Y., Li, S., Huang, J., & Liu, Z. (2026). Characterization of key odor-active volatiles in jasmine green tea by sensomics and chemometrics. Food chemistry: X, 34, 103695. https://doi.org/10.1016/j.fochx.2026.103695. |
| 1-Octen-3-One | mushroom; earthy; metallic; musty; dirty; herbal | 4312-99-6 | 0.003 | Sacks, D., Baxter, B., Campbell, B. C. V., Carpenter, J. S., Cognard, C., Dippel, D., Eesa, M., Fischer, U., Hausegger, K., Hirsch, J. A., Shazam Hussain, M., Jansen, O., Jayaraman, M. V., Khalessi, A. A., Kluck, B. W., Lavine, S., Meyers, P. M., Ramee, S., Rüfenacht, D. A., … Vorwerk, D. (2018). Multisociety Consensus Quality Improvement Revised Consensus Statement for Endovascular Therapy of Acute Ischemic Stroke. International journal of stroke: official journal of the International Stroke Society, 13(6), 612–632. https://doi.org/10.1177/1747493018778713. |
| Jasmone | spicy; jasmine; celery; herbal; woody; jasmin | 488-10-8 | 1.9 | Chen, H., Jiang, R., An, H., Xu, H., Ou, X., Wang, K., Chen, Y., Jiang, Y., Li, S., Huang, J., & Liu, Z. (2026). Characterization of key odor-active volatiles in jasmine green tea by sensomics and chemometrics. Food chemistry: X, 34, 103695. https://doi.org/10.1016/j.fochx.2026.103695. |
| β-Ionone | dry; flower; powdery; jam; seaweed; violet; orange; woody; orris; raspberry | 79-77-6 | 0.021 | Cui, L., Wang, X., He, C., Liu, Z., & Liang, J. (2024). Effect of puffing treatment on volatile components of green tea explored by gas chromatography-mass spectrometry and gas chromatography-olfactometry. Food chemistry: X, 23, 101746. https://doi.org/10.1016/j.fochx.2024.101746. |
| 2,3-Octanedione | cooked; buttery; broccoli; dill | 585-25-1 | 12 | Li, H., Chen, J., Zhang, Y., Jiang, Y., Sun, D., Piao, C., Li, T., Wang, J., Li, H., Mu, B., & Li, G. (2024). Evaluation of the flavor profiles of Yanbian-style sauced beef from differently treated raw beef samples. Food chemistry: X, 22, 101505. https://doi.org/10.1016/j.fochx.2024.101505. |
| Damascenone | apple; tobacco; rose; smoke; honey; sweet; apple. rose | 23726-93-4 | 0.006 | Cui, L., Wang, X., He, C., Liu, Z., & Liang, J. (2024). Effect of puffing treatment on volatile components of green tea explored by gas chromatography-mass spectrometry and gas chromatography-olfactometry. Food chemistry: X, 23, 101746. https://doi.org/10.1016/j.fochx.2024.101746. |
| (E)- β-Damascone | apple; tobacco; rose; plum; honey; blackcurrant; berry; fruity | 23726-91-2 | 0.001 | Xue, Y., Chen, G., Zhang, J., Zhu, G., Zheng, X., Xie, H., Wang, Z., Li, D., Huang, J., Liu, Z., & Wang, C. (2026). Cultivar-specific aroma divergence in multi-type teas: Comparative study of five cultivars processed into green, white, and black teas. Food chemistry: X, 34, 103498. https://doi.org/10.1016/j.fochx.2026.103498. |
| (E, E)-3,5-Octadien-2-One | grassy; mushroom; fatty; fruity; green | 38284-27-4 | 0.1 | Wang, D., Wang, C., Su, W., Lin, C. C., Liu, W., Liu, Y., Ni, L., & Liu, Z. (2023). Characterization of the Key Aroma Compounds in Dong Ding Oolong Tea by Application of the Sensomics Approach. Foods (Basel, Switzerland), 12(17), 3158. https://doi.org/10.3390/foods12173158. |
| Methyl Salicylate | wintergreen; minty; peppermint | 119-36-8 | 40 | Chen, H., Jiang, R., An, H., Xu, H., Ou, X., Wang, K., Chen, Y., Jiang, Y., Li, S., Huang, J., & Liu, Z. (2026). Characterization of key odor-active volatiles in jasmine green tea by sensomics and chemometrics. Food chemistry: X, 34, 103695. https://doi.org/10.1016/j.fochx.2026.103695. |
| Linalyl Acetate | citrus; sweet; lavender; fruity; green; bergamot; woody | 115-95-7 | 0.1109 | Elsharif, S. A., Banerjee, A., & Buettner, A. (2015). Structure-odor relationships of linalool, linalyl acetate and their corresponding oxygenated derivatives. Frontiers in chemistry, 3, 57. https://doi.org/10.3389/fchem.2015.00057. |
| Methyl Nonanoate | waxy; coconut; sweet; pear; tropical; fruity; wine | 1731-84-6 | 0.04 | Chen, H., Jiang, R., An, H., Xu, H., Ou, X., Wang, K., Chen, Y., Jiang, Y., Li, S., Huang, J., & Liu, Z. (2026). Characterization of key odor-active volatiles in jasmine green tea by sensomics and chemometrics. Food chemistry: X, 34, 103695. https://doi.org/10.1016/j.fochx.2026.103695. |
| Phenylethyl Alcohol | lilac; rose flower; rose water; honey; rose; rose dried; bitter; spice | 20-12-8 | 564.23 | Chen, H., Jiang, R., An, H., Xu, H., Ou, X., Wang, K., Chen, Y., Jiang, Y., Li, S., Huang, J., & Liu, Z. (2026). Characterization of key odor-active volatiles in jasmine green tea by sensomics and chemometrics. Food chemistry: X, 34, 103695. https://doi.org/10.1016/j.fochx.2026.103695. |
| Geraniol | waxy; citrus; rose; geranium; sweet; fruity | 106-24-1 | 6.6 | Chen, H., Jiang, R., An, H., Xu, H., Ou, X., Wang, K., Chen, Y., Jiang, Y., Li, S., Huang, J., & Liu, Z. (2026). Characterization of key odor-active volatiles in jasmine green tea by sensomics and chemometrics. Food chemistry: X, 34, 103695. https://doi.org/10.1016/j.fochx.2026.103695. |
| Linalool | flower; lemon; citrus; sweet; lavender; green; orange; woody; blueberry | 78-70-6 | 6 | Chen, H., Jiang, R., An, H., Xu, H., Ou, X., Wang, K., Chen, Y., Jiang, Y., Li, S., Huang, J., & Liu, Z. (2026). Characterization of key odor-active volatiles in jasmine green tea by sensomics and chemometrics. Food chemistry: X, 34, 103695. https://doi.org/10.1016/j.fochx.2026.103695. |
| 1-Octen-3-Ol | fungal; mushroom; earthy; raw; green; fish; chicken; oily | 3391-86-4 | 1.5 | Chen, H., Jiang, R., An, H., Xu, H., Ou, X., Wang, K., Chen, Y., Jiang, Y., Li, S., Huang, J., & Liu, Z. (2026). Characterization of key odor-active volatiles in jasmine green tea by sensomics and chemometrics. Food chemistry: X, 34, 103695. https://doi.org/10.1016/j.fochx.2026.103695. |
| (3E)-β-Ocimene | woody; citrus; herbal; tropical; green; sweet; terpene | 13877-91-3 | 0.02 | Ye, F., Gui, A., Qiao, X., Liu, P., Wang, X., Wang, S., Feng, L., Teng, J., Xue, J., Chen, X., Mei, Y., Zhang, B., Han, H., Liao, A., Zheng, P., & Gao, S. (2025). Effects of Roasting Process on Sensory Qualities, Color, Physicochemical Components, and Identification of Key Aroma Compounds in Hubei Strip-Shaped Green Tea. Metabolites, 15(3), 155. https://doi.org/10.3390/metabo15030155. |
| α-Phellandrene | citrus; peppery; green; turpentine; woody; herbal; terpene; minty; spice | 99-83-2 | 0.04 | Zhao, Z., Hao, Y., Liu, Y., Shi, Y., Lin, X., Wang, L., Wen, P., Hu, X., & Li, J. (2023). Comprehensive evaluation of aroma and taste properties of different parts from the wampee fruit. Food chemistry: X, 19, 100835. https://doi.org/10.1016/j.fochx.2023.100835. |
| 3-Ethyl-2,5-Dimethylpyrazine | cocoa; nutty; potato; roast; roasted | 13360-65-1 | 25 | Cui, L., Wang, X., He, C., Liu, Z., & Liang, J. (2024). Effect of puffing treatment on volatile components of green tea explored by gas chromatography-mass spectrometry and gas chromatography-olfactometry. Food chemistry: X, 23, 101746. https://doi.org/10.1016/j.fochx.2024.101746. |
| 2-Ethyl-5-Methylpyrazine | sweet; bean; fruity; coffee | 13360-64-0 | 16 | Cui, L., Wang, X., He, C., Liu, Z., & Liang, J. (2024). Effect of puffing treatment on volatile components of green tea explored by gas chromatography-mass spectrometry and gas chromatography-olfactometry. Food chemistry: X, 23, 101746. https://doi.org/10.1016/j.fochx.2024.101746. |
| 2,5-Diethylpyrazine | - | 13238-84-1 | 0.02 | Cui, L., Wang, X., He, C., Liu, Z., & Liang, J. (2024). Effect of puffing treatment on volatile components of green tea explored by gas chromatography-mass spectrometry and gas chromatography-olfactometry. Food chemistry: X, 23, 101746. https://doi.org/10.1016/j.fochx.2024.101746. |
| 2,3-Diethyl-5-Methylpyrazine | vegetable; wine; earthy; meat; potato; citrus; fatty; roast; musty; herbal; nutty; spicy; green; hazelnut; woody; fruity; meaty | 18138-04-0 | 0.031 | Cui, L., Wang, X., He, C., Liu, Z., & Liang, J. (2024). Effect of puffing treatment on volatile components of green tea explored by gas chromatography-mass spectrometry and gas chromatography-olfactometry. Food chemistry: X, 23, 101746. https://doi.org/10.1016/j.fochx.2024.101746. |
| 3,5-Diethyl-2-Methylpyrazine | vegetable; nutty; roast; meaty | 18138-05-1 | 0.26 | Cui, L., Wang, X., He, C., Liu, Z., & Liang, J. (2024). Effect of puffing treatment on volatile components of green tea explored by gas chromatography-mass spectrometry and gas chromatography-olfactometry. Food chemistry: X, 23, 101746. https://doi.org/10.1016/j.fochx.2024.101746. |
| 2-Pentylfuran | buttery; earthy; metallic; green bean; green; vegetable; fruity; beany | 3777-69-3 | 5.8 | Cui, L., Wang, X., He, C., Liu, Z., & Liang, J. (2024). Effect of puffing treatment on volatile components of green tea explored by gas chromatography-mass spectrometry and gas chromatography-olfactometry. Food chemistry: X, 23, 101746. https://doi.org/10.1016/j.fochx.2024.101746. |
| P-Cymene | solvent; citrus; gasoline; terpene; woody; fresh; spice | 99-87-6 | 11.4 | Xu, J., Zhang, Y., Yan, F., Tang, Y., Yu, B., Chen, B., Lu, L., Yuan, L., Wu, Z., & Chen, H. (2022). Monitoring Changes in the Volatile Compounds of Tea Made from Summer Tea Leaves by GC-IMS and HS-SPME-GC-MS. Foods (Basel, Switzerland), 12(1), 146. https://doi.org/10.3390/foods12010146. |
| Indole | fecal; moth ball; fish; jasmine; honey; animal; naphthelene; mothball; burnt | 120-72-9 | 11 | Chen, H., Jiang, R., An, H., Xu, H., Ou, X., Wang, K., Chen, Y., Jiang, Y., Li, S., Huang, J., & Liu, Z. (2026). Characterization of key odor-active volatiles in jasmine green tea by sensomics and chemometrics. Food chemistry: X, 34, 103695. https://doi.org/10.1016/j.fochx.2026.103695. |
| Coumarin | bitter; sweet; green; new mown hay | 91-64-5 | 11 | Cui, L., Wang, X., He, C., Liu, Z., & Liang, J. (2024). Effect of puffing treatment on volatile components of green tea explored by gas chromatography-mass spectrometry and gas chromatography-olfactometry. Food chemistry: X, 23, 101746. https://doi.org/10.1016/j.fochx.2024.101746. |
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| Compounds | Retention time | RI | CAS | HJC1 | CC4H | GZSC | QM601 | SLX | SMCY |
| Aldehydes | |||||||||
| Nonanal | 7.532 | 1391 | 124-19-6 | 28.23±4.86ab | 32.53±2.84a | 20.33±0.80cd | 13.27±0.15e | 19.93±2.30d | 27.67±0.91b |
| 4-Methylbenzaldehyde | 10.82 | 1623 | 104-87-0 | 2.50±0.29b | 2.20±0.17b | 3.76±0.22a | 2.10±0.14b | 2.42±0.33b | 3.21±0.13ab |
| Hexanal | 3.194 | 1083 | 66-25-1 | 5.44±0.79bc | 5.98±0.38ab | 5.10±0.29c | 3.58±0.22d | 4.93±0.29c | 6.21±0.38a |
| Valeraldehyde | 2.319 | 979 | 110-62-3 | 3.58±0.32ab | 4.08±0.15a | 2.76±0.21cd | 2.54±0.09d | 3.83±0.64ac | 3.51±0.26bc |
| β-Cyclocitral | 10.783 | 1611 | 432-25-7 | 7.48±0.91d | 11.20±1.31b | 11.77±0.81ab | 10.25±0.64c | 12.06±1.99a | 9.77±0.35c |
| Furfural | 8.607 | 1461 | 98-01-1 | 1.47±0.15c | 8.49±0.69a | 3.15±0.35b | 2.47±0.09b | 4.11±1.73b | 1.69±0.23c |
| Salicylaldehyde | 11.418 | 1670 | 90-02-8 | 1.83±0.25b | 2.29±0.12a | 2.05±0.14ab | 1.75±0.12c | 2.60±0.29a | 1.93±0.14bc |
| Benzaldehyde | 9.458 | 1520 | 100-52-7 | 83.40±10.11b | 85.87±4.50b | 67.30±3.55c | 167.67±11.50a | 85.57±11.95b | 108.30±7.43b |
| 2,6-Dimethyl-5-Heptenal | 6.313 | 1357 | 106-72-9 | 4.41±0.40c | 6.30±0.60a | 5.61±0.42ab | 5.30±0.35b | 6.52±1.06a | 4.53±0.26c |
| 2-Methylbutyraldehyde | 1.933 | 914 | 96-17-3 | 17.13±1.67b | 10.13±0.41d | 10.92±1.02d | 46.87±3.02a | 18.23±3.06b | 6.31±0.50e |
| 5-Methylfurfural | 10.216 | 1570 | 620-02-0 | 4.55±0.57d | 28.20±1.97a | 11.77±0.81b | 8.13±0.42c | 12.00±2.13b | 4.32±0.29d |
| Octanal | 5.933 | 1289 | 124-13-0 | 4.71±0.78bc | 5.48±0.48b | 3.02±0.22d | 2.08±0.03e | 3.38±0.50cd | 5.03±0.27bc |
| Methylglyoxal | 2.313 | 970 | 78-98-8 | 0.30±0.03ab | 0.31±0.03a | 0.23±0.02c | 0.18±0.01d | 0.30±0.04ab | 0.25±0.03bc |
| Heptanal | 4.439 | 1185 | 111-71-7 | 11.75±2.00a | 9.75±0.90ab | 9.12±0.51b | 4.24±0.05c | 8.13±1.02b | 8.72±0.63b |
| Pyrrole-2-Carboxaldehyde | 13.935 | 2030 | 1003-29-8 | 6.24±0.77c | 11.73±0.90a | 5.42±0.21c | 4.36±0.29d | 5.40±0.85c | 3.07±0.06e |
| 2-Heptenal | 6.447 | 1323 | 18829-55-5 | 0.43±0.07d | 0.93±0.19a | 0.57±0.08c | 0.53±0.11c | 1.03±0.17a | 0.92±0.03ab |
| Tetradecanal | 13.325 | 1930 | 124-25-4 | 77.97±9.08b | 23.30±2.16d | 27.73±1.19d | 10.26±0.26e | 109.67±7.77a | 29.57±0.21c |
| Safranal | 11.062 | 1648 | 116-26-7 | 9.85±1.13b | 11.80±1.20a | 11.70±0.70a | 9.28±0.71b | 11.02±1.53a | 10.93±0.55a |
| Isovaleraldehyde | 1.951 | 918 | 590-86-3 | 5.56±0.63a | 1.11±0.04d | 1.25±0.10d | 5.11±0.31a | 3.41±0.58c | 2.59±0.20c |
| 2-Hexenal | 4.894 | 1216 | 6728-26-3 | 0.55±0.05c | 0.23±0.02d | 0.76±0.05a | 0.37±0.02d | 0.45±0.05c | 1.34±0.07a |
| Cis-Cinnamaldehyde | 12.942 | 1884 | 57194-69-1 | 0.13±0.01b | 0.17±0.01a | 0.16±0.02a | 0.13±0.01b | 0.18±0.04a | 0.14±0.02b |
| Decanal | 9.137 | 1498 | 112-31-2 | 2.43±0.62b | 2.61±0.03ab | 2.10±0.13bc | 1.67±0.05c | 3.02±0.99a | 2.09±0.51bc |
| Citral | 11.906 | 1732 | 141-27-5 | 0.74±0.10b | 0.38±0.04d | 1.31±0.06a | 0.47±0.04cd | 0.42±0.04d | 0.69±0.02bc |
| α-Cyclocitral | 8.169 | 1425 | 432-24-6 | 0.42±0.05c | 0.63±0.05a | 0.60±0.04a | 0.47±0.02bc | 0.63±0.05a | 0.48±0.04b |
| Ketones | |||||||||
| 2,3-Pentanedione | 2.968 | 1054 | 600-14-6 | 1.27±0.12c | 2.51±0.23a | 1.76±0.19b | 1.07±0.03c | 2.02±0.39ab | 1.01±0.02c |
| 1-Octen-3-One | 6.116 | 1301 | 4312-99-6 | 1.75±0.25c | 2.52±0.26b | 1.96±0.17c | 1.59±0.18c | 2.84±0.33a | 3.00±0.17a |
| 3-Penten-2-One | 3.697 | 1122 | 3102-33-8 | 3.79±0.64a | 2.23±0.80bc | 1.99±0.27c | 2.93±0.52ab | 2.33±0.02bc | 2.21±0.18bc |
| Methyl Ethyl Ketone | 1.87 | 945 | 78-93-3 | 0.57±0.08ab | 0.41±0.03c | 0.37±0.04c | 0.69±0.06a | 0.56±0.18ab | 0.50±0.05bc |
| Jasmone | 13.435 | 1961 | 488-10-8 | 3.46±0.51d | 20.20±1.74a | 6.79±0.21c | 11.67±0.97b | 15.03±1.85a | 30.83±0.40a |
| Mesityl Oxide | 3.767 | 1127 | 141-79-7 | 6.56±0.34d | 13.57±0.75b | 15.03±0.40a | 14.60±1.23ab | 23.03±2.19a | 6.87±0.47d |
| 3-Octen-2-One | 7.715 | 1396 | 1669-44-9 | 1.17±0.17c | 2.51±0.17a | 2.11±0.22b | 1.30±0.05c | 1.99±0.17b | 1.93±0.14b |
| Benzophenone | 16.254 | 2508 | 119-61-9 | 1.76±0.27b | 2.22±0.33a | 2.05±0.05ab | 1.60±0.06b | 2.05±0.16ab | 1.29±0.03c |
| 3-Octanone | 5.409 | 1253 | 106-68-3 | 1.08±0.14ab | 1.12±0.05a | 1.00±0.10b | 0.71±0.05c | 1.05±0.18ab | 1.21±0.05a |
| 2-Octanone | 5.862 | 1285 | 111-13-7 | 2.62±0.38c | 3.24±0.14a | 2.46±0.19c | 1.55±0.08d | 2.89±0.47bc | 2.84±0.22bc |
| 2’-Aminoacetophenone | 14.968 | 2223 | 551-93-9 | 0.74±0.12a | 0.56±0.03bc | 0.48±0.00c | 0.25±0.01d | 0.52±0.06c | 0.44±0.02c |
| Isophorone | 10.399 | 1591 | 78-59-1 | 1.51±0.21b | 1.69±0.11a | 1.39±0.09c | 0.88±0.06d | 1.60±0.19ab | 1.13±0.04c |
| β-Ionone | 13.411 | 1941 | 79-77-6 | 27.63±3.67a | 20.23±2.45b | 19.57±1.02b | 17.57±0.21b | 23.30±2.69ab | 20.23±0.21b |
| 2-Methyl-1-Penten-3-One | 3.034 | 1069 | 25044-01-3 | 6.66±0.83c | 8.39±0.58a | 5.49±0.51d | 7.92±0.36ab | 6.73±1.26c | 5.09±0.24d |
| 2-Heptanone | 4.393 | 1182 | 110-43-0 | 8.88±1.23ab | 9.22±0.47a | 7.83±0.60c | 5.01±0.31d | 8.07±1.27bc | 8.75±0.80ab |
| 2,3-Octanedione | 6.489 | 1335 | 585-25-1 | 27.50±2.72bc | 31.27±2.05ab | 22.73±4.21c | 27.00±1.30bc | 39.00±7.66a | 27.50±1.65bc |
| 2(5H)-Furanone | 12.1 | 1743 | 497-23-4 | 0.17±0.02c | 0.35±0.03a | 0.17±0.03c | 0.08±0.01d | 0.31±0.14ab | 0.26±0.03b |
| 6-Methyl-5-Hepten-2-One | 6.662 | 1336 | 110-93-0 | 35.00±3.38c | 49.90±4.83a | 46.53±3.07ab | 38.30±1.99c | 44.60±7.25b | 44.93±2.27b |
| Nerylacetone | 12.855 | 1838 | 3879-26-3 | 9.85±1.31c | 15.47±2.04a | 17.07±1.11a | 10.59±0.72c | 14.40±1.90ab | 12.27±0.32b |
| 1-Hepten-3-One | 5.159 | 1221 | 2918-13-0 | 0.29±0.10b | 0.32±0.09b | 0.32±0.04b | 0.38±0.27b | 0.51±0.35a | 0.20±0.01c |
| 2,4-Dimethyl-3-Hexanone | 4.18 | 1178 | 18641-70-8 | 2.44±0.30c | 3.84±0.61a | 3.52±0.21ab | 2.21±0.11c | 4.54±1.54a | 2.16±0.10c |
| Damascenone | 12.609 | 1813 | 23726-93-4 | 0.32±0.05d | 0.56±0.03b | 0.62±0.02a | 0.31±0.02d | 0.67±0.08a | 0.19±0.01e |
| (E)-β-Damascone | 12.909 | 1830 | 23726-91-2 | 0.62±0.11c | 1.00±0.13b | 2.25±3.40ab | 4.17±0.26a | 1.27±0.13bc | 5.25±0.12a |
| Furaneol | 13.947 | 2031 | 3658-77-3 | 2.70±0.36c | 8.67±1.17a | 5.54±0.30b | 2.01±0.53c | 4.73±0.67b | 1.89±0.05c |
| (E, E)-3,5-Octadien-2-One | 9.424 | 1522 | 38284-27-4 | 3.38±0.36d | 8.61±0.62a | 6.04±0.21c | 7.97±0.43b | 6.14±0.80c | 11.03±0.70a |
| 1-(3,5-Dimethylpyrazinyl)-Ethanone | 11.347 | 1629 | 54300-08-2 | 0.28±0.03b | 0.55±0.04a | 0.34±0.03b | 0.14±0.01d | 0.30±0.03bc | 0.10±0.01e |
| 2-Pentanone | 2.308 | 983 | 107-87-9 | 0.07±0.01b | 0.10±0.00a | 0.08±0.01b | 0.07±0.00b | 0.10±0.02a | 0.09±0.01ab |
| 2,6-Dimethyl-4-Hepten-3-One | 12.19 | 1754 | 56259-14-4 | 0.26±0.03c | 0.30±0.02b | 0.25±0.02c | 0.21±0.01d | 0.40±0.05a | 0.34±0.00b |
| 2,5-Dimethyl-3-Hexanone | 4.234 | 1145 | 1888-57-9 | 0.05±0.02b | 0.13±0.04a | 0.09±0.04ab | 0.05±0.00b | 0.11±0.11ab | 0.04±0.01b |
| 2-Nonanone | 7.443 | 1388 | 821-55-6 | 0.52±0.09c | 0.68±0.05b | 0.54±0.06c | 0.30±0.01d | 0.54±0.10c | 2.22±0.19a |
| 2-Pentadecanone | 13.883 | 2019 | 2345-28-0 | 0.27±0.05c | 0.42±0.03a | 0.34±0.03b | 0.24±0.03c | 0.34±0.04b | 0.26±0.00c |
| Ethyl Vinyl Ketone | 2.629 | 1019 | 1629-58-9 | 0.21±0.03b | 0.11±0.01c | 0.15±0.02c | 0.19±0.02bc | 0.24±0.04b | 0.43±0.03a |
| Esters | |||||||||
| Methyl Palmitate | 14.911 | 2209 | 112-39-0 | 4.21±0.48d | 5.13±0.27c | 6.57±0.31a | 5.75±0.06b | 5.29±0.74c | 10.10±0.30a |
| Methyl Hexanoate | 4.469 | 1184 | 106-70-7 | 6.33±0.69a | 3.19±0.20c | 5.23±0.41b | 2.21±0.09d | 3.78±0.52c | 6.15±0.58a |
| (Z)-Acetate 3-Hexen-1-Ol | 6.905 | 1327 | 3681-71-8 | 2.83±0.29a | 0.23±0.01e | 1.56±0.07c | 2.42±0.14b | 0.71±0.10d | 0.18±0.01e |
| Phenethyl Acetate | 12.364 | 1813 | 103-45-7 | 2.05±0.31b | 0.82±0.07d | 0.77±0.03d | 1.05±0.08c | 0.73±0.12d | 3.47±0.23a |
| Pentyl Hexanoate | 9.331 | 1510 | 540-07-8 | 0.19±0.04c | 0.23±0.02b | 0.16±0.01d | 0.09±0.00e | 0.22±0.02b | 0.14±0.01d |
| Methyl Octanoate | 7.48 | 1389 | 111-11-5 | 1.10±0.20c | 1.22±0.13bc | 1.04±0.06c | 1.27±0.08b | 1.14±0.16c | 3.00±0.26a |
| Methyl Salicylate | 12.271 | 1766 | 119-36-8 | 29.87±4.14d | 61.93±6.83c | 93.47±5.03a | 69.93±4.82c | 112.17±14.46a | 65.43±2.06c |
| Methyl Anthranilate | 15.062 | 2260 | 134-20-3 | 3.03±0.51c | 4.47±0.38a | 1.92±0.04d | 2.63±0.28c | 1.83±0.22d | 2.02±0.09d |
| Methyl Linoleate | 16.233 | 2482 | 112-63-0 | 1.97±0.21b | 1.94±0.10b | 3.17±0.10a | 1.93±0.15b | 2.29±0.27b | 5.57±0.16a |
| Linalyl Acetate | 9.445 | 1555 | 115-95-7 | 0.45±0.04d | 6.92±0.59a | 1.41±0.10c | 3.72±0.30b | 2.58±0.29b | 2.40±0.11b |
| (Z)-Benzoate 3-Hexen-1-Ol | 14.475 | 2126 | 25152-85-6 | 0.05±0.01a | 0.05±0.00a | 0.04±0.00ab | 0.03±0.00b | 0.06±0.01a | 0.05±0.01a |
| γ-Caprolactone | 11.627 | 1694 | 695-06-7 | 1.44±0.16c | 1.91±0.08a | 1.48±0.07c | 1.18±0.07d | 1.82±0.21ab | 1.89±0.11ab |
| γ-Decalactone | 14.589 | 2163 | 706-14-9 | 0.33±0.05c | 0.56±0.04a | 0.41±0.02b | 0.23±0.01d | 0.42±0.05b | 0.32±0.02c |
| Methyl Nonanoate | 9.046 | 1493 | 1731-84-6 | 0.08±0.01d | 0.17±0.01b | 0.14±0.01c | 0.18±0.00a | 0.14±0.02c | 0.39±0.02a |
| Alcohols | |||||||||
| Phenylethyl Alcohol | 13.236 | 1907 | 60-12-8 | 681.67±51.48a | 424.67±15.28c | 491.00±8.72b | 444.33±15.53c | 378.67±31.72d | 766.33±10.21a |
| Geraniol | 12.787 | 1847 | 106-24-1 | 105.20±14.38a | 60.97±5.25c | 179.33±8.08a | 66.57±4.68c | 67.23±8.47c | 88.10±2.51b |
| Linalool | 9.851 | 1547 | 78-70-6 | 72.63±8.33c | 113.00±6.24b | 42.23±1.99d | 261.33±11.24a | 144.00±19.52b | 147.33±7.23b |
| 1-Octanol | 9.996 | 1557 | 111-87-5 | 32.03±4.73b | 37.47±1.45a | 25.83±1.27c | 20.03±0.93d | 31.43±4.34b | 29.50±1.32b |
| 1-Undecanol | 11.707 | 1719 | 112-42-5 | 2.94±0.47c | 4.48±0.41a | 4.32±0.15a | 3.20±0.25c | 4.73±0.48a | 2.80±0.13c |
| 1-Octen-3-Ol | 8.375 | 1450 | 3391-86-4 | 19.70±2.44c | 29.10±3.46a | 23.33±1.55b | 19.30±0.98c | 27.93±4.35a | 26.30±1.51ab |
| Benzyl Alcohol | 13.005 | 1870 | 100-51-6 | 195.00±20.95d | 276.00±9.54c | 249.67±6.81c | 204.33±8.96d | 304.00±29.05b | 348.33±10.69a |
| 1-Penten-3-Ol | 4.073 | 1157 | 616-25-1 | 0.51±0.05d | 0.48±0.04d | 0.54±0.03cd | 0.66±0.04c | 0.71±0.13b | 0.94±0.06a |
| α-Terpineol | 11.576 | 1688 | 98-55-5 | 31.73±4.18d | 57.77±3.84b | 11.77±0.45e | 117.33±8.08a | 56.07±7.23b | 23.40±0.53c |
| Epi-Cubenol | 14.124 | 2067 | 19912-67-5 | 1.00±0.12d | 4.31±0.48b | 0.92±0.02d | 0.78±0.07d | 7.27±0.73a | 0.87±0.02d |
| Hotrienol | 10.683 | 1603 | 29957-43-5 | 1.39±0.16d | 18.13±1.42b | 4.82±0.11c | 22.93±1.74a | 15.77±1.86b | 2.96±0.09c |
| Nerol | 12.451 | 1797 | 106-25-2 | 5.45±0.89b | 1.66±0.17d | 4.01±0.19c | 4.15±0.34c | 1.88±0.31d | 2.02±0.10d |
| 1-Pentanol | 5.307 | 1250 | 71-41-0 | 32.23±2.06c | 41.67±4.66b | 30.77±2.54c | 28.13±1.67c | 56.70±8.41a | 27.33±2.39c |
| 1-Phenylethanol | 12.552 | 1821 | 98-85-1 | 0.89±0.12d | 1.47±0.09b | 2.49±0.09a | 0.94±0.05d | 2.73±0.38a | 5.39±0.61a |
| Cis-Nerolidol | 13.967 | 2044 | 142-50-7 | 1.56±0.22d | 4.89±0.47a | 2.97±0.23c | 1.41±0.13d | 3.18±0.33c | 2.75±0.09c |
| Isogeraniol | 12.534 | 1820 | 5944-20-7 | 0.88±0.14c | 1.27±0.10b | 1.32±0.07b | 0.91±0.08c | 1.29±0.14b | 1.90±0.06a |
| 4-Hexen-1-Ol | 7.346 | 1391 | 928-92-7 | 0.49±0.05d | 0.70±0.07c | 1.77±0.11a | 2.02±0.10a | 1.63±0.37a | 1.87±0.15a |
| 1-Decanol | 12.111 | 1760 | 112-30-1 | 0.40±0.09b | 0.35±0.01b | 0.32±0.02b | 1.20±0.11a | 0.52±0.08b | 0.31±0.01b |
| Nonan-1-Ol | 11.233 | 1660 | 143-08-8 | 3.70±0.52b | 2.70±0.21c | 2.13±0.09cd | 1.56±0.11d | 2.79±0.37c | 4.42±0.26a |
| 1-Heptanol | 8.438 | 1453 | 111-70-6 | 7.00±0.93b | 5.07±0.14c | 4.92±0.30c | 3.88±0.17d | 6.77±0.83b | 9.79±0.36a |
| Menthol | 14.445 | 1644 | 2216-51-5 | 7.14±1.58bc | 7.39±0.80b | 6.23±0.30c | 4.34±0.35d | 14.70±2.07a | 6.52±0.19c |
| Alkenes | |||||||||
| (+/-)-Limonene | 4.609 | 1199 | 138-86-3 | 10.74±1.68d | 33.87±3.93b | 9.68±0.63d | 53.97±2.66a | 25.97±7.33c | 8.50±0.47d |
| Terpinolene | 5.836 | 1281 | 586-62-9 | 7.98±0.99c | 20.63±1.33a | 4.53±0.21d | 47.53±2.50a | 16.27±2.37b | 6.75±0.25c |
| γ-Terpinene | 5.152 | 1238 | 99-85-4 | 11.61±1.48a | 9.55±0.77b | 7.28±0.34c | 13.97±1.12a | 8.72±1.66b | 3.30±0.17d |
| Calamenene | 12.714 | 1839 | 72937-55-4 | 11.37±1.18c | 45.77±4.25a | 7.72±0.37d | 6.89±0.51d | 62.70±5.98a | 7.45±0.48d |
| Longicyclene | 9.095 | 1519 | 1137-12-8 | 3.77±0.25d | 8.39±0.79b | 10.31±0.60a | 7.53±0.89bc | 7.49±1.23bc | 3.91±0.41d |
| α-Cubebene | 8.516 | 1463 | 31141-66-9 | 5.54±0.68c | 14.77±1.37a | 1.79±0.09d | 1.45±0.11d | 20.97±2.16a | 1.75±0.04d |
| (3E)-β-Ocimene | 5.392 | 1250 | 13877-91-3 | 11.05±1.39c | 23.43±1.59b | 16.37±0.67b | 40.37±2.36a | 15.33±1.17b | 8.34±3.56c |
| α-Terpinene | 4.348 | 1178 | 99-86-5 | 7.83±0.97b | 8.87±0.94a | 5.61±0.45d | 12.73±0.50a | 8.35±2.42b | 2.88±0.04e |
| β-Pinene | 4.155 | 1116 | 127-91-3 | 16.10±4.69c | 26.40±7.63b | 25.37±0.45b | 36.87±1.75a | 22.13±7.76b | 12.41±4.39d |
| Copaene | 9.714 | 1492 | 3856-25-5 | 0.42±0.06c | 1.04±0.09a | 0.42±0.02c | 30.13±1.76a | 1.29±0.13a | 14.93±0.91b |
| α-Corocalene | 14.15 | 2060 | 20129-39-9 | 0.25±0.04c | 1.31±0.13a | 0.15±0.01d | 0.15±0.02d | 2.09±0.19a | 0.14±0.01d |
| α-Phellandrene | 4.767 | 1167 | 99-83-2 | 0.42±0.03b | 0.49±0.01a | 0.45±0.01b | 0.66±0.06a | 0.40±0.28b | 0.27±0.01c |
| Acids | |||||||||
| Nonanoic Acid | 14.655 | 2171 | 112-05-0 | 18.17±3.49b | 24.47±1.94a | 15.93±1.65c | 8.79±0.81d | 15.43±2.67c | 19.87±0.90b |
| Caproic Acid | 12.797 | 1846 | 142-62-1 | 24.13±3.23c | 38.57±1.82a | 24.87±2.05c | 16.37±0.93d | 29.90±4.97b | 35.70±1.90a |
| Geranic Acid | 15.478 | 2347 | 459-80-3 | 8.00±1.39b | 7.06±0.48c | 43.50±2.42a | 8.28±0.54b | 6.86±1.35c | 5.42±0.08d |
| Heptanoic Acid | 13.488 | 1950 | 111-14-8 | 16.47±3.30a | 14.83±0.80b | 13.60±0.72c | 5.37±0.31e | 11.72±2.02d | 15.63±0.68b |
| Octanoic Acid | 14.101 | 2060 | 124-07-2 | 7.67±1.29c | 10.36±1.23a | 5.62±0.30d | 5.14±0.59d | 10.03±1.77a | 9.03±0.52b |
| Benzoic Acid | 16.048 | 2414 | 65-85-0 | 2.32±0.33d | 5.25±0.53a | 3.78±0.43b | 3.08±0.99c | 6.27±1.46a | 3.64±0.31bc |
| 2-Ethylbutyric Acid | 11.673 | 1711 | 32391 | 39.30±3.95c | 59.40±4.45b | 43.27±4.64c | 33.77±1.46d | 70.43±9.90a | 41.60±1.44c |
| Pyrazines | |||||||||
| 2,3-Dimethylpyrazine | 6.729 | 1344 | 5910-89-4 | 3.46±0.36c | 11.43±0.72a | 5.32±0.45b | 4.08±0.19c | 5.30±1.00b | 1.88±0.15d |
| 2-Ethylpyrazine | 6.56 | 1337 | 13925-00-3 | 3.55±0.32d | 17.83±1.27a | 11.53±0.90b | 5.53±0.30d | 9.66±1.52c | 3.14±0.37d |
| 2,5-Dimethylpyrazine | 6.364 | 1320 | 123-32-0 | 69.60±6.05d | 236.33±12.50a | 184.33±11.93b | 85.10±4.51d | 143.33±19.86c | 56.63±3.55e |
| 2,6-Dimethylpyrazine | 6.454 | 1328 | 108-50-9 | 18.83±1.82c | 99.27±5.62a | 62.00±4.73b | 27.53±1.33c | 53.27±7.05b | 18.33±1.39c |
| 2,6-Diethylpyrazine | 8.088 | 1445 | 13067-27-1 | 0.83±0.11b | 2.99±0.21a | 1.31±0.12b | 0.70±0.03c | 1.14±0.18b | 0.30±0.03d |
| 2,3,5-Trimethylpyrazine | 7.597 | 1395 | 14667-55-1 | 18.33±2.29c | 39.00±2.96a | 20.40±1.35c | 10.97±0.59d | 16.93±2.66c | 6.35±0.33e |
| 3-Ethyl-2,5-Dimethylpyrazine | 8.238 | 1435 | 13360-65-1 | 76.70±9.44d | 223.67±15.04a | 128.33±8.33b | 58.00±2.86e | 116.67±16.50b | 34.40±1.65f |
| 2-Methylpyrazine | 5.542 | 1266 | 109-08-0 | 9.44±0.67d | 58.87±3.61a | 37.90±3.29b | 19.83±1.27c | 34.50±6.24b | 13.17±1.02c |
| 2-Ethyl-5-Methylpyrazine | 7.424 | 1383 | 13360-64-0 | 48.73±28.26c | 178.00±10.82a | 130.67±8.74b | 63.00±3.20c | 76.90±37.10c | 26.77±12.55d |
| 2,5-Diethylpyrazine | 8.989 | 1456 | 13238-84-1 | 2.41±0.34c | 6.69±0.57a | 3.21±0.24b | 1.55±0.09d | 2.71±0.43bc | 0.63±0.03e |
| 2,3-Diethyl-5-Methylpyrazine | 9.319 | 1486 | 18138-04-0 | 1.14±0.18c | 2.93±0.17a | 1.22±0.08c | 0.75±0.06d | 1.11±0.18c | 0.27±0.02e |
| Acetylpyrazine | 10.848 | 1631 | 22047-25-2 | 0.41±0.05c | 1.37±0.10a | 0.81±0.04b | 0.37±0.02c | 0.79±0.10b | 0.47±0.02c |
| 3,5-Diethyl-2-Methylpyrazine | 9.273 | 1508 | 18138-05-1 | 3.65±0.55b | 6.57±0.56a | 2.71±0.21c | 1.74±0.09d | 2.52±0.39c | 0.62±0.02e |
| Furans | |||||||||
| 2-Ethylfuran | 2.152 | 951 | 3208-16-0 | 2.03±0.23c | 2.52±0.17b | 2.22±0.21c | 1.87±0.11c | 2.56±0.42b | 3.26±0.22a |
| 2-Acetylfuran | 9.205 | 1499 | 1192-62-7 | 18.27±1.67d | 98.30±5.57a | 60.03±4.20b | 40.27±2.57c | 60.10±8.15b | 20.37±1.47d |
| 2-Pentylfuran | 5.098 | 1232 | 3777-69-3 | 51.87±8.04c | 58.57±2.91b | 43.63±2.77d | 35.07±1.69e | 48.33±5.25c | 66.10±5.21a |
| 2-(2-Pentenyl) Furan | 6.142 | 1282 | 70424-14-5 | 1.00±0.12d | 1.83±0.13a | 1.18±0.10c | 1.62±0.10b | 1.55±0.23b | 2.07±0.15a |
| 2-Methylfuran | 1.848 | 870 | 534-22-5 | 0.74±0.06c | 1.16±0.08b | 1.64±0.14a | 0.77±0.03c | 1.30±0.23b | 1.34±0.08b |
| Pyrroles | |||||||||
| 1-Furfurylpyrrole | 12.684 | 1824 | 1438-94-4 | 0.37±0.04c | 2.63±0.21a | 1.35±0.14b | 0.58±0.05c | 0.64±0.12c | 0.04±0.03d |
| 2-Acetylpyrrole | 13.606 | 1973 | 1072-83-9 | 16.03±2.18d | 56.20±3.26a | 39.67±1.38b | 22.17±1.38c | 43.43±5.17b | 9.23±0.32e |
| Miscellaneous | |||||||||
| Vanillin | 16.716 | 2569 | 121-33-5 | 5.89±1.08c | 18.77±0.72a | 9.84±0.73b | 11.90±0.36ab | 11.43±1.01b | 12.80±0.30a |
| 1,1,6-Trimethyl-1,2-Dihydronaphthalene | 12.016 | 1737 | 30364-38-6 | 6.97±0.94b | 11.03±0.83a | 6.25±0.47c | 7.13±0.49b | 6.23±0.90c | 1.32±0.07d |
| Toluene | 2.8 | 1042 | 108-88-3 | 7.39±0.53c | 16.60±1.51a | 9.25±0.65b | 9.80±0.52b | 10.57±2.06b | 4.46±0.42d |
| Naphthalene | 11.971 | 1745 | 91-20-3 | 11.33±1.25bc | 13.60±2.25ab | 12.67±1.00b | 15.40±1.40a | 13.73±1.55ab | 8.51±0.68c |
| Ethylbenzene | 3.693 | 1129 | 100-41-4 | 0.95±0.07b | 1.31±0.24a | 1.23±0.03a | 0.99±0.02b | 1.38±0.22a | 0.77±0.07c |
| 2,4-Di-Tert-Butylphenol | 15.327 | 2321 | 96-76-4 | 119.87±19.69a | 108.67±8.33b | 102.30±4.10b | 139.67±15.18a | 81.97±5.66c | 59.70±1.44d |
| Tridecane | 6.613 | 1300 | 629-50-5 | 0.60±0.07c | 0.85±0.06a | 0.75±0.04b | 0.64±0.05c | 1.20±0.35a | 0.58±0.03c |
| Tetradecane | 8.255 | 1400 | 629-59-4 | 2.91±0.33c | 5.11±0.39a | 4.73±0.37a | 4.95±0.24a | 4.38±0.51b | 2.94±0.09c |
| P-Cymene | 5.665 | 1272 | 99-87-6 | 8.26±0.89c | 11.23±0.96b | 7.27±0.36d | 15.47±1.01a | 8.39±1.42c | 3.61±0.25e |
| Fluorene | 15.568 | 2337 | 86-73-7 | 0.76±0.14c | 1.37±0.15a | 0.89±0.05b | 0.62±0.04c | 1.24±0.13a | 0.81±0.03b |
| Hexadecane | 10.574 | 1600 | 544-76-3 | 1.61±0.21c | 2.65±0.23a | 2.52±0.16a | 1.95±0.16b | 3.14±0.31a | 1.76±0.09c |
| O-Xylene | 4.416 | 1183 | 95-47-6 | 3.04±0.29c | 4.51±0.66a | 3.61±0.13b | 2.49±0.12d | 4.06±0.39ab | 2.27±0.23d |
| Indole | 16.054 | 2469 | 120-72-9 | 9.96±1.46c | 26.23±2.05a | 17.77±0.59b | 10.32±0.73c | 10.97±1.65c | 17.47±0.42b |
| Pentadecane | 9.203 | 1500 | 629-62-9 | 1.47±0.27c | 1.88±0.21b | 1.93±0.22b | 1.64±0.06bc | 2.19±0.16a | 1.15±0.04d |
| Skatole | 16.3 | 2515 | 83-34-1 | 0.90±0.15c | 1.34±0.11a | 0.87±0.05c | 1.27±0.08ab | 0.71±0.09d | 0.43±0.01e |
| Eugenol | 14.683 | 2169 | 97-53-0 | 0.26±0.05d | 0.94±0.07a | 0.32±0.01cd | 0.32±0.02cd | 0.63±0.08b | 1.40±0.02a |
| Coumarin | 16.131 | 2465 | 91-64-5 | 2.53±0.33d | 38.13±2.56a | 7.90±0.22c | 3.50±0.17d | 8.50±0.69c | 13.90±0.44b |
| Metabolite | CAS ID | Threshold (μg/L or μg/kg) | HJC1 | CC4H | GZSC | QM601 | SLX | SMCY |
| Nonanal | 124-19-6 | 1.1 | 25.67±4.42 | 29.58±2.58 | 18.48±0.73 | 12.06±0.14 | 18.12±2.09 | 25.15±0.82 |
| Hexanal | 66-25-1 | 4.5 | 1.21±0.18 | 1.33±0.09 | 1.13±0.06 | 0.80±0.05 | 1.10±0.06 | 1.38±0.08 |
| β-Cyclocitral | 432-25-7 | 3 | 2.49±0.30 | 3.73±0.44 | 3.92±0.27 | 3.42±0.21 | 4.02±0.66 | 3.26±0.12 |
| Benzaldehyde | 100-52-7 | 0.024 | 3475.00±421.33 | 3577.78±187.33 | 2804.17±147.96 | 6986.11±479.32 | 3565.28±497.94 | 4512.50±309.49 |
| 2-Methylbutyraldehyde | 96-17-3 | 1.5 | 11.42±1.12 | 6.75±0.27 | 7.28±0.68 | 31.24±2.01 | 12.16±2.04 | 4.20±0.33 |
| Octanal | 124-13-0 | 0.8 | 5.89±0.97 | 6.85±0.60 | 3.78±0.27 | 2.60±0.04 | 4.22±0.62 | 6.29±0.33 |
| Heptanal | 111-71-7 | 2.8 | 4.20±0.71 | 3.48±0.32 | 3.26±0.18 | 1.51±0.02 | 2.90±0.36 | 3.11±0.23 |
| Tetradecanal | 124-25-4 | 67 | 1.16±0.14 | 0.35±0.03 | 0.41±0.02 | 0.15±0.00 | 1.64±0.12 | 0.44±0.00 |
| Safranal | 116-26-7 | 3 | 3.28±0.38 | 3.93±0.40 | 3.90±0.23 | 3.09±0.24 | 3.67±0.51 | 3.64±0.18 |
| Isovaleraldehyde | 590-86-3 | 0.5 | 11.12±1.26 | 2.22±0.08 | 2.51±0.20 | 10.22±0.62 | 6.81±1.15 | 5.17±0.39 |
| Decanal | 112-31-2 | 3 | 0.81±0.21 | 0.87±0.01 | 0.70±0.04 | 0.56±0.02 | 1.01±0.33 | 0.70±0.17 |
| 1-Octen-3-One | 4312-99-6 | 0.003 | 584.44±84.74 | 840.00±87.43 | 654.44±55.21 | 531.11±59.66 | 947.78±110.02 | 998.89±57.48 |
| Jasmone | 488-10-8 | 1.9 | 1.82±0.27 | 10.63±0.92 | 3.57±0.11 | 6.14±0.51 | 7.91±0.97 | 16.23±0.21 |
| β-Ionone | 79-77-6 | 0.021 | 1315.87±174.60 | 963.49±116.87 | 931.75±48.64 | 836.51±9.91 | 1109.52±127.86 | 963.49±9.91 |
| 2,3-Octanedione | 585-25-1 | 12 | 2.29±0.23 | 2.61±0.17 | 1.89±0.35 | 2.25±0.11 | 3.25±0.64 | 2.29±0.14 |
| Damascenone | 23726-93-4 | 0.006 | 53.17±8.49 | 92.72±5.59 | 103.06±4.10 | 51.67±3.18 | 111.56±13.68 | 31.67±1.17 |
| (E)- β-Damascone | 23726-91-2 | 0.001 | 616.33±113.46 | 995.33±133.81 | 2245.00±3399.39 | 4166.67±259.29 | 1266.67±127.02 | 5253.33±122.20 |
| (E, E)-3,5-Octadien-2-One | 38284-27-4 | 0.1 | 33.83±3.60 | 86.10±6.20 | 60.37±2.06 | 79.67±4.26 | 61.37±8.02 | 110.33±7.02 |
| Methyl Salicylate | 119-36-8 | 40 | 0.75±0.10 | 1.55±0.17 | 2.34±0.13 | 1.75±0.12 | 2.80±0.36 | 1.64±0.05 |
| Linalyl Acetate | 115-95-7 | 0.1109 | 4.02±0.32 | 62.43±5.32 | 12.71±0.87 | 33.54±2.72 | 23.29±2.59 | 21.67±1.01 |
| Methyl Nonanoate | 1731-84-6 | 0.04 | 1.97±0.22 | 4.27±0.23 | 3.46±0.22 | 4.63±0.08 | 3.44±0.41 | 9.64±0.49 |
| Phenylethyl Alcohol | 20-12-8 | 564.23 | 1.21±0.09 | 0.75±0.03 | 0.87±0.02 | 0.79±0.03 | 0.67±0.06 | 1.36±0.02 |
| Geraniol | 106-24-1 | 6.6 | 15.94±2.18 | 9.24±0.80 | 27.17±1.22 | 10.09±0.71 | 10.19±1.28 | 13.35±0.38 |
| Linalool | 78-70-6 | 6 | 12.11±1.39 | 18.83±1.04 | 7.04±0.33 | 43.56±1.87 | 24.00±3.25 | 24.56±1.21 |
| 1-Octen-3-Ol | 3391-86-4 | 1.5 | 13.13±1.63 | 19.40±2.31 | 15.56±1.04 | 12.87±0.66 | 18.62±2.90 | 17.53±1.01 |
| (3E)-β-Ocimene | 13877-91-3 | 0.02 | 552.50±69.60 | 1171.67±79.43 | 818.33±33.29 | 2018.33±118.15 | 766.67±58.59 | 417.17±178.18 |
| α-Phellandrene | 99-83-2 | 0.04 | 10.61±0.73 | 12.28±0.28 | 11.23±0.37 | 16.57±1.61 | 9.95±7.11 | 6.72±0.32 |
| 3-Ethyl-2,5-Dimethylpyrazine | 13360-65-1 | 25 | 3.07±0.38 | 8.95±0.60 | 5.13±0.33 | 2.32±0.11 | 4.67±0.66 | 1.38±0.07 |
| 2-Ethyl-5-Methylpyrazine | 13360-64-0 | 16 | 3.05±1.77 | 11.13±0.68 | 8.17±0.55 | 3.94±0.20 | 4.81±2.32 | 1.67±0.78 |
| 2,5-Diethylpyrazine | 13238-84-1 | 0.02 | 120.33±17.22 | 334.67±28.25 | 160.50±12.13 | 77.67±4.54 | 135.50±21.50 | 31.28±1.42 |
| 2,3-Diethyl-5-Methylpyrazine | 18138-04-0 | 0.031 | 36.76±5.91 | 94.62±5.49 | 39.35±2.64 | 24.13±1.87 | 35.86±5.90 | 8.68±0.50 |
| 3,5-Diethyl-2-Methylpyrazine | 18138-05-1 | 0.26 | 14.03±2.13 | 25.27±2.15 | 10.44±0.81 | 6.68±0.36 | 9.71±1.49 | 2.38±0.09 |
| 2-Pentylfuran | 3777-69-3 | 5.8 | 8.94±1.39 | 10.10±0.50 | 7.52±0.48 | 6.05±0.29 | 8.33±0.91 | 11.40±0.90 |
| P-Cymene | 99-87-6 | 11.4 | 0.72±0.08 | 0.99±0.08 | 0.64±0.03 | 1.36±0.09 | 0.74±0.12 | 0.32±0.02 |
| Indole | 120-72-9 | 11 | 0.91±0.13 | 2.38±0.19 | 1.62±0.05 | 0.94±0.07 | 1.00±0.15 | 1.59±0.04 |
| Coumarin | 91-64-5 | 11 | 0.23±0.03 | 3.47±0.23 | 0.72±0.02 | 0.32±0.02 | 0.77±0.06 | 1.26±0.04 |
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