HS-GC-IMS Analysis of Volatile Organic Compounds in Different Varieties and Harvesting Times of Rhizoma gastrodiae (Tian Ma) in Yunnan Province
Abstract
:1. Introduction
2. Results
2.1. Analysis of Volatile Components in Different Rhizoma gastrodiae Samples by HS-GC-IMS
2.2. Identification of Volatile Components in Different Rhizoma gastrodiae Samples
2.3. Topographic Results and Analysis of Five Rhizoma gastrodiae Samples
2.4. Cluster Analysis of the Volatile Components of Five Rhizoma gastrodiae Samples
2.4.1. Dynamics of the Sample
2.4.2. Fingerprint Similarity Analysis Based on Euclidean Distance
2.4.3. Hierarchical Cluster Analysis Heatmap
3. Materials and Methods
3.1. Sample Preparation
3.2. HS-GC-IMS System
3.3. Data Analysis
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
Sample Availability
References
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No. | Compound | CAS# | Formula | MW | RI | Rt [sec] | Dt [a.u.] | Category | Odor | Identification Approach |
---|---|---|---|---|---|---|---|---|---|---|
1 | cis-rose oxide | C3033236 | C10H18O | 154.3 | 1116.1 | 862.35 | 1.36395 | Ether | sweet, rose | RI, DT |
2 | Nonanal a | C124196 | C9H18O | 142.2 | 1085.5 | 790.725 | 1.47499 | Aldehydes | fat, citrus, green | RI, DT |
3 | Nonanal b | C124196 | C9H18O | 142.2 | 1085.3 | 790.299 | 1.95001 | Aldehydes | RI, DT | |
4 | ortho-Guaiacol b | C90051 | C7H8O2 | 124.1 | 1087 | 794.136 | 1.22412 | Phenols | burnt, phenol, wood | RI, DT |
5 | ortho-Guaiacol a | C90051 | C7H8O2 | 124.1 | 1088.8 | 798.400 | 1.12336 | Phenols | RI, DT | |
6 | furaneol | C3658773 | C6H8O3 | 128.1 | 1070.8 | 756.192 | 1.20972 | Heterocyclic | caramel | RI, DT |
7 | Acetophenone a | C98862 | C8H8O | 120.2 | 1061.5 | 734.449 | 1.18711 | Ketones | must, flower, almond | RI, DT |
8 | Acetophenone b | C98862 | C8H8O | 120.2 | 1064.7 | 742.123 | 1.58809 | Ketones | RI, DT | |
9 | Decalin | C91178 | C10H18 | 138.3 | 1065.8 | 744.681 | 1.32899 | Hydrocarbons | green, nut, fat | RI, DT |
10 | (E)-2-octenal a | C2548870 | C8H14O | 126.2 | 1053.1 | 714.838 | 1.33105 | Aldehydes | / | RI, DT |
11 | 3-sec-Butyl-2- methoxypyrazine | C24168705 | C9H14N2O | 166.2 | 1091.5 | 804.689 | 1.27823 | Heterocyclic | / | RI, DT |
12 | N-Nitrosodi- N-propylamine | C621647 | C6H14N2O | 130.2 | 1076.2 | 768.858 | 1.29053 | Amines | / | RI, DT |
13 | (E)-2-octenal b | C2548870 | C8H14O | 126.2 | 1051.5 | 711.172 | 1.82123 | Aldehydes | green, nut, fat | RI, DT |
14 | 2-ethyl-1-hexanol | C104767 | C8H18O | 130.2 | 1037.3 | 677.882 | 1.7773 | Alcohols | green, rose | RI, DT |
15 | beta-Ocimene | C13877913 | C10H16 | 136.2 | 1039.7 | 683.473 | 1.66659 | Alkenes | floral | RI, DT |
16 | Limonene b | C138863 | C10H16 | 136.2 | 1030.1 | 660.856 | 1.69119 | Alkenes | lemon, orange | RI, DT |
17 | benzene acetaldehyde | C122781 | C8H8O | 120.2 | 1046.1 | 698.445 | 1.25225 | Aldehydes | berry, geranium, honey, nut, pungent | RI, DT |
18 | 1.8-Cineole | C470826 | C10H18O | 154.3 | 1039.4 | 682.639 | 1.29027 | Alcohols | mint, sweet | RI, DT |
19 | Limonene a | C138863 | C10H16 | 136.2 | 1029.8 | 660.325 | 1.26249 | Alkenes | lemon, orange | RI, DT |
20 | 2-acetylpyrazine | C22047252 | C6H6N2O | 122.1 | 1024.3 | 647.309 | 1.15281 | Heterocyclic | roast | RI, DT |
21 | Octanal a | C124130 | C8H16O | 128.2 | 1006.8 | 606.4 | 1.40141 | Aldehydes | citrus, fat, green, oil, pungent | RI, DT |
22 | Octanal b | C124130 | C8H16O | 128.2 | 1007.5 | 607.95 | 1.81965 | Aldehydes | RI, DT | |
23 | 2,4,5-Trimethylthiazole | C13623115 | C6H9NS | 127.2 | 999.5 | 589.355 | 1.14912 | Heterocyclic | cocoa, earthy, nut | RI, DT |
24 | Pyridine, 2,4,6- trimethyl- | C108758 | C8H11N | 121.2 | 988.9 | 567.97 | 1.16408 | Heterocyclic | / | RI, DT |
25 | 2-pentyl furan | C3777693 | C9H14O | 138.2 | 994.2 | 577.962 | 1.25391 | Heterocyclic | butter, floral, fruit, green bean | RI, DT |
26 | 3-Octanolb | C589980 | C8H18O | 130.2 | 998.1 | 586.088 | 1.76519 | Alcohols | moss, nut, mushroom | RI, DT |
27 | 1-octen-3-one a | C4312996 | C8H14O | 126.2 | 980.3 | 551.638 | 1.27132 | Ketones | earth, mushroom | RI, DT |
28 | Ethyl hexanoate | C123660 | C8H16O2 | 144.2 | 1000.2 | 590.895 | 1.3385 | Esters | apple peel, fruit | RI, DT |
29 | 1-octen-3-one b | C4312996 | C8H14O | 126.2 | 980.2 | 551.409 | 1.69428 | Ketones | earth, mushroom | RI, DT |
30 | oct-1-en-3-ol | C3391864 | C8H16O | 128.2 | 982.5 | 555.758 | 1.59352 | Alcohols | cucumber, earth, fat, floral, mushroom | RI, DT |
31 | (E)-hept-2-enal b | C18829555 | C7H12O | 112.2 | 956.9 | 507.516 | 1.67599 | Aldehydes | almond, fat, fruit | RI, DT |
32 | (E)-hept-2-enal a | C18829555 | C7H12O | 112.2 | 956.2 | 506.066 | 1.26737 | Aldehydes | RI, DT | |
33 | Benzaldehyde a | C100527 | C7H6O | 106.1 | 969.3 | 530.943 | 1.14967 | Aldehydes | almond, burnt sugar | RI, DT |
34 | Benzaldehyde b | C100527 | C7H6O | 106.1 | 968.6 | 529.525 | 1.47168 | Aldehydes | RI, DT | |
35 | 5-Methylfurfural | C620020 | C6H6O2 | 110.1 | 954.9 | 503.755 | 1.47723 | Heterocyclic | almond, caramel, burnt sugar | RI, DT |
36 | 1-heptanol | C111706 | C7H16O | 116.2 | 961.9 | 516.995 | 1.38507 | Alcohols | chemical, green | RI, DT |
37 | Ethylpyrazine b | C13925003 | C6H8N2 | 108.1 | 930.5 | 457.601 | 1.15078 | Heterocyclic | burnt, green, iron scorch, must, peanut butter, roasted, rum, wood | RI, DT |
38 | Ethylpyrazine a | C13925003 | C6H8N2 | 108.1 | 929.5 | 455.774 | 1.11192 | Heterocyclic | RI, DT | |
39 | 3-methylthiopropanal | C3268493 | C4H8OS | 104.2 | 912.8 | 424.181 | 1.0886 | Aldehydes | cooked potato, soy | RI, DT |
40 | 2,6-Dimethylpyrazine | C108509 | C6H8N2 | 108.1 | 913.9 | 426.27 | 1.14967 | Heterocyclic | cocoa, coffee, green, roast beef, roasted nut | RI, DT |
41 | Methyl hexanoate | C106707 | C7H14O2 | 130.2 | 921.2 | 440.108 | 1.28846 | Esters | fruit, fresh, sweet | RI, DT |
42 | Heptanal b | C111717 | C7H14O | 114.2 | 900.3 | 400.683 | 1.69819 | Aldehydes | fat, citrus, rancid | RI, DT |
43 | 3-Octanol a | C589980 | C8H18O | 130.2 | 988.3 | 566.739 | 1.39173 | Alcohols | moss, nut, mushroom | RI, DT |
44 | 2-heptanone b | C110430 | C7H14O | 114.2 | 890.5 | 383.379 | 1.63571 | Ketones | soap | RI, DT |
45 | Heptanal a | C111717 | C7H14O | 114.2 | 901.7 | 403.294 | 1.32286 | Aldehydes | fat, citrus, rancid | RI, DT |
46 | n-Hexanol | C111273 | C6H14O | 102.2 | 867.5 | 357.353 | 1.32385 | Alcohols | banana, flower, grass, herb | RI, DT |
47 | pentanoic acid | C109524 | C5H10O2 | 102.1 | 896.5 | 393.484 | 1.22546 | Acids | sweat | RI, DT |
48 | 2-heptanone a | C110430 | C7H14O | 114.2 | 894 | 388.698 | 1.26285 | Ketones | soap | RI, DT |
49 | N-nitrosodiethylamine | C55185 | C4H10N2O | 102.1 | 896.2 | 392.766 | 1.1497 | Amines | / | RI, DT |
50 | 1,2-dimethylbenzene | C95476 | C8H10 | 106.2 | 863.3 | 352.567 | 1.0828 | Hydrocarbons | / | RI, DT |
51 | Furfural | C98011 | C5H4O2 | 96.1 | 846.8 | 333.904 | 1.08378 | Aldehydes | bread, almond, sweet | RI, DT |
52 | methylpyrazine | C109080 | C5H6N2 | 94.1 | 827.3 | 311.89 | 1.09461 | Heterocyclic | cocoa, green, hazelnut, popcorn, roasted | RI, DT |
53 | (E)-2-hexenal | C6728263 | C6H10O | 98.1 | 848.3 | 335.578 | 1.18414 | Aldehydes | apple, green | RI, DT |
54 | 3-methylbutyric acid | C503742 | C5H10O2 | 102.1 | 829 | 313.804 | 1.21956 | Acids | cheese, pungent | RI, DT |
55 | butanoic acid 3- methylethyl ester | C108645 | C7H14O2 | 130.2 | 857.6 | 346.107 | 1.26186 | Esters | apple, fruit, pineapple, sour | RI, DT |
56 | ethyl 2-methylbutanoate | C7452791 | C7H14O2 | 130.2 | 858.2 | 346.824 | 1.63966 | Esters | apple, ester, green apple, kiwi, strawberry | RI, DT |
57 | (E)-3-hexen-1-ol | C928972 | C6H12O | 100.2 | 847 | 334.143 | 1.5216 | Alcohols | green | RI, DT |
58 | Isovaleric acid | C503742 | C5H10O2 | 102.1 | 834.3 | 319.786 | 1.48913 | Acids | sweat, acid, rancid | RI, DT |
59 | ethyl 2-hydroxypropanoate | C97643 | C5H10O3 | 118.1 | 819.3 | 302.785 | 1.15121 | Esters | cheese, floral, fruit, pungent, rubber | RI, DT |
60 | Hexanal b | C66251 | C6H12O | 100.2 | 802.2 | 283.496 | 1.57059 | Aldehydes | grass, tallow, fat | RI, DT |
61 | 2-Hexanone | C591786 | C6H12O | 100.2 | 792.1 | 272.015 | 1.50704 | Ketones | / | RI, DT |
62 | 2,3-Butanediol | C513859 | C4H10O2 | 90.1 | 809.1 | 291.304 | 1.35878 | Alcohols | fruit, onion | RI, DT |
63 | 2-Methylpropionic acid | C79312 | C4H8O2 | 88.1 | 789.4 | 268.916 | 1.35454 | Acids | burnt, butter, cheese, sweat | RI, DT |
64 | Hexanal a | C66251 | C6H12O | 100.2 | 803.5 | 284.874 | 1.2557 | Aldehydes | grass, tallow, fat | RI, DT |
65 | Ethyl butyrate | C105544 | C6H12O2 | 116.2 | 786.6 | 265.76 | 1.21954 | Esters | apple | RI, DT |
66 | pentan-1-ol a | C71410 | C5H12O | 88.1 | 775 | 255.54 | 1.25267 | Alcohols | balsamic, fruit, green, pungent, yeast | RI, DT |
67 | pentan-1-ol b | C71410 | C5H12O | 88.1 | 772.9 | 253.856 | 1.52068 | Alcohols | RI, DT | |
68 | 2-methylbutan-1-ol | C137326 | C5H12O | 88.1 | 748.8 | 234.202 | 1.24213 | Alcohols | fish oil, green, malt, onion, wine | RI, DT |
69 | N,N-diethylethanamine | C121448 | C6H15N | 101.2 | 709.1 | 201.858 | 1.21653 | Amines | / | RI, DT |
70 | Hydroxyacetone | C116096 | C3H6O2 | 74.1 | 721.8 | 212.19 | 1.21352 | Ketones | butter, herb, malt, pungent | RI, DT |
71 | 2-methylpropanoic acid | C79312 | C4H8O2 | 88.1 | 782.8 | 261.942 | 1.14576 | Acids | burnt, butter, cheese, sweat | RI, DT |
72 | (E)-2-pentenal | C1576870 | C5H8O | 84.1 | 748.8 | 234.202 | 1.35656 | Aldehydes | / | RI, DT |
73 | Butanoic acid methyl ester | C623427 | C5H10O2 | 102.1 | 730.3 | 219.153 | 1.44389 | Esters | apple, banana, cheese, ester, floral | RI, DT |
74 | Acetoin | C513860 | C4H8O2 | 88.1 | 735 | 222.971 | 1.34451 | Ketones | butter, cream | RI, DT |
75 | 3-Methyl-3-buten-1-ol | C763326 | C5H10O | 86.1 | 721.5 | 211.965 | 1.28579 | Alcohols | / | RI, DT |
76 | Pentanal | C110623 | C5H10O | 86.1 | 695 | 190.403 | 1.43034 | Aldehydes | almond, malt, pungent | RI, DT |
77 | ethyl propanoate | C105373 | C5H10O2 | 102.1 | 712.7 | 204.778 | 1.14576 | Esters | apple, pineapple, rum, strawberry | RI, DT |
78 | Methyl isobutyl ketone | C108101 | C6H12O | 100.2 | 729.8 | 218.704 | 1.48454 | Ketones | / | RI, DT |
79 | 2,5-Dimethylfuran | C625865 | C6H8O | 96.1 | 705.4 | 198.826 | 1.33548 | Heterocyclic | savory | RI, DT |
80 | 2-Ethylfuran | C3208160 | C6H8O | 96.1 | 697.5 | 192.409 | 1.28502 | Heterocyclic | butter, caramel | RI, DT |
81 | 3-methylbutanal b | C590863 | C5H10O | 86.1 | 650.1 | 168.205 | 1.40884 | Aldehydes | malt | RI, DT |
82 | 1,2-Dimethoxyethane | C110714 | C4H10O2 | 90.1 | 646.3 | 166.547 | 1.31833 | Hydrocarbons | / | RI, DT |
83 | pentan-2-one | C107879 | C5H10O | 86.1 | 675 | 179.146 | 1.11851 | Ketones | fruit, pungent | RI, DT |
84 | Isopropyl acetate | C108214 | C5H10O2 | 102.1 | 667 | 175.665 | 1.1612 | Esters | banana | RI, DT |
85 | 3-Butenenitrile | C109751 | C4H5N | 67.1 | 633.5 | 160.911 | 1.11851 | Nitrile | / | RI, DT |
86 | 3-methylbutanal a | C590863 | C5H10O | 86.1 | 643.3 | 165.221 | 1.15181 | Aldehydes | malt | RI, DT |
87 | 3-Pentanone | C96220 | C5H10O | 86.1 | 688.8 | 185.28 | 1.33114 | Ketones | / | RI, DT |
88 | 2-methyl-1- propanol | C78831 | C4H10O | 74.1 | 622.9 | 156.228 | 1.17831 | Alcohols | apple, bitter, cocoa, wine | RI, DT |
89 | Butanal a | C123728 | C4H8O | 72.1 | 608.2 | 149.753 | 1.12118 | Aldehydes | pungent, green | RI, DT |
90 | Butanal b | C123728 | C4H8O | 72.1 | 598.2 | 145.366 | 1.29119 | Aldehydes | RI, DT | |
91 | 2-Butanone | C78933 | C4H8O | 72.1 | 590.9 | 142.129 | 1.24938 | Ketones | fragrant, fruit, pleasant | RI, DT |
92 | 2,3-butanedione | C431038 | C4H6O2 | 86.1 | 589.7 | 141.606 | 1.1818 | Ketones | butter, pastry, yeast | RI, DT |
93 | tert-butyl methyl ether | C1634044 | C5H12O | 88.1 | 548.4 | 123.434 | 1.11769 | Ether | / | RI, DT |
94 | Isopropyl alcohol | C67630 | C3H8O | 60.1 | 507.1 | 105.262 | 1.08754 | Alcohols | floral | RI, DT |
95 | alpha-Pinene | C80568 | C10H16 | 136.2 | 937.2 | 470.198 | 1.21549 | Alkenes | cedarwood, pine, sharp | RI, DT |
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Duan, H.; Zhou, S.; Guo, J.; Yan, W. HS-GC-IMS Analysis of Volatile Organic Compounds in Different Varieties and Harvesting Times of Rhizoma gastrodiae (Tian Ma) in Yunnan Province. Molecules 2023, 28, 6705. https://doi.org/10.3390/molecules28186705
Duan H, Zhou S, Guo J, Yan W. HS-GC-IMS Analysis of Volatile Organic Compounds in Different Varieties and Harvesting Times of Rhizoma gastrodiae (Tian Ma) in Yunnan Province. Molecules. 2023; 28(18):6705. https://doi.org/10.3390/molecules28186705
Chicago/Turabian StyleDuan, Hao, Shiqi Zhou, Jinhong Guo, and Wenjie Yan. 2023. "HS-GC-IMS Analysis of Volatile Organic Compounds in Different Varieties and Harvesting Times of Rhizoma gastrodiae (Tian Ma) in Yunnan Province" Molecules 28, no. 18: 6705. https://doi.org/10.3390/molecules28186705
APA StyleDuan, H., Zhou, S., Guo, J., & Yan, W. (2023). HS-GC-IMS Analysis of Volatile Organic Compounds in Different Varieties and Harvesting Times of Rhizoma gastrodiae (Tian Ma) in Yunnan Province. Molecules, 28(18), 6705. https://doi.org/10.3390/molecules28186705