Analysis and Comparison of Aroma Compounds of Brown Sugar in Guangdong, Guangxi and Yunnan Using GC-O-MS
Abstract
:1. Introduction
2. Results and Discussion
2.1. Volatile Aroma Components Analysis
2.2. Analysis of Key Aroma Compounds in Brown Sugar Samples
2.3. Fingerprint Analysis of Sugar Products from Three Different Regions
2.4. Verification of Fingerprint
2.5. Orthogonal Partial Least Squares Discriminant Analysis (OPLS-DA)
3. Materials and Methods
3.1. Materials
3.2. Standards and Reagents
3.3. Extraction of Odor Compounds from Sugars
3.4. GC-O-MS
3.5. Qualitative Analysis
3.6. Odor Activity Value (OAV)
3.7. Statistical Analysis
4. Conclusions
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
Sample Availability
Abbreviations
GC-O-MS | gas chromatography-olfactometry-mass spectrometry |
LLE | liquid–liquid extraction |
NCS | non-centrifugal cane sugar |
COFCO | China Oil and Food Import and Export Corporation |
GC | gas chromatography |
MS | mass spectrometer |
ODP | olfactory detection port |
RSD | relative standard deviation |
RT | retention time |
RI | retention index |
OPLS-DA | orthogonal partial least squares discriminant analysis |
VIP | variable importance of projection |
OT | odor threshold |
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No. | Compounds | Odor description | RI | Identification | Guangdong (ng/g) | Guangxi (ng/g) | Yunnan (ng/g) | |||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Guangdong1 | Guangdong2 | Guangdong3 | Guangdong4 | Guangdong5 | Guangdong6 | Guangxi1 | Guangxi2 | Guangxi3 | Guangxi4 | Guangxi5 | Guangxi6 | Yunnan1 | Yunnan2 | Yunnan3 | Yunnan4 | Yunnan5 | Yunnan6 | |||||
1 | 2,3-butanediol | fruit, onion | 1568 | MS/RI/O | 265.09 ± 24.94 | 184.68 ± 20.31 | 76.15 ± 9.36 | 209.60 ± 19.39 | 83.16 ± 6.00 | 179.33 ± 13.56 | 296.97 ± 15.27 | - | 114.44 ± 10.07 | 256.59 ± 21.35 | 81.45 ± 5.45 | 1019.88 ± 47.28 | 173.87 ± 12.84 | 256.31 ± 27.60 | 466.38 ± 31.83 | 410.50 ± 35.41 | 165.52 ± 4.61 | 50.48 ± 2.32 |
2 | propylene glycol | sweet | 1603 | MS/RI/O | - | - | - | - | - | - | - | - | 75.58 ± 12.71 | - | - | - | - | - | - | - | - | - |
3 | furfuryl alcohol | burnt | 1644 | MS/RI | 474.08 ± 15.80 | 480.63 ± 13.93 | 604.00 ± 40.01 | 130.47 ± 16.31 | 131.31 ± 6.74 | 535.66 ± 48.23 | 2006.99 ± 23.40 | 1502.75 ± 148.15 | 675.84 ± 18.94 | 1027.58 ± 93.40 | 205.87 ± 11.41 | 409.98 ± 34.42 | 881.75 ± 15.61 | 786.48 ± 36.72 | 681.50 ± 47.48 | 589.18 ± 31.74 | 84.99 ± 5.94 | 581.65 ± 39.11 |
4 | 5-methyl furfuryl alcohol | sweet, caramellic | 1705 | MS/RI | - | - | - | - | - | 295.98 ± 33.01 | 779.98 ± 180.99 | 147.60 ± 7.97 | - | 303.36 ± 121.91 | 87.16 ± 26.45 | 325.62 ± 12.36 | - | - | - | - | - | 189.50 ± 59.19 |
5 | benzyl alcohol | sweet, flower | 1865 | MS/RI | 118.05 ± 16.92 | 153.98 ± 11.55 | 299.03 ± 22.63 | - | - | 17.22 ± 1.07 | - | - | - | - | - | - | - | 169.70 ± 13.38 | - | 380.32 ± 22.02 | 100.30 ± 7.22 | - |
Content of total alcohols | 857.22 | 819.29 | 979.18 | 340.07 | 214.47 | 1028.19 | 3083.94 | 1650.35 | 865.86 | 1587.53 | 374.48 | 1755.48 | 1055.62 | 1212.49 | 1147.88 | 1380 | 350.81 | 821.63 | ||||
6 | hexanal | grass, tallow, fat | 1075 | MS/RI/O | 399.76 ± 21.53 | 279.98 ± 19.85 | 313.08 ± 16.32 | 308.33 ± 6.52 | 150.05 ± 4.55 | 260.23 ± 19.05 | 230.54 ± 19.85 | 57.51 ± 4.66 | 130.21 ± 11.55 | 294.62 ± 15.77 | 209.07 ± 19.25 | 182.99 ± 15.58 | 207.86 ± 7.53 | 36.23 ± 2.97 | 231.15 ± 20.79 | 241.62 ± 17.27 | 155.67 ± 9.51 | 182.12 ± 16.88 |
7 | furfural | bread, almond, sweet | 1455 | MS/RI | - | - | - | 50.05 ± 3.69 | - | - | 97.89 ± 3.70 | 111.40 ± 5.84 | 95.82 ± 6.77 | - | 108.26 ± 5.01 | 161.29 ± 9.46 | - | - | - | - | - | 80.62 ± 4.36 |
8 | (E)-2-nonenal | cucumber, fat, green | 1507 | MS/RI/O | 56.20 ± 2.12 | 95.35 ± 2.05 | 68.21 ± 4.20 | 71.00 ± 3.80 | 36.96 ± 3.69 | 85.51 ± 2.13 | - | 59.88 ± 0.21 | 34.18 ± 3.20 | 60.66 ± 2.67 | 73.78 ± 5.50 | 79.64 ± 8.90 | 44.27 ± 2.08 | 70.81 ± 6.62 | 109.32 ± 12.26 | 80.28 ± 8.59 | - | - |
9 | benzaldehyde | almond, caramel | 1514 | MS/RI/O | 57.98 ± 6.17 | 109.82 ± 6.24 | 50.92 ± 3.04 | - | - | 168.28 ± 3.28 | - | - | 46.19 ± 5.23 | 102.28 ± 7.28 | 52.62 ± 7.13 | 94.52 ± 2.68 | - | 49.57 ± 4.48 | 69.14 ± 6.60 | 58.67 ± 4.52 | 54.31 ± 1.43 | - |
10 | 5-methylfurfural | almond, caramel | 1560 | MS/RI | 65.10 ± 5.32 | 60.46 ± 3.14 | 76.48 ± 2.04 | - | - | - | 121.80 ± 7.66 | 58.28 ± 2.64 | 71.86 ± 6.37 | 48.57 ± 3.84 | 27.43 ± 1.07 | 84.62 ± 4.31 | - | 74.75 ± 5.59 | 89.67 ± 8.14 | 65.65 ± 4.47 | - | 32.39 ± 2.98 |
11 | 2-hydroxymethyl-5-furfural | cardboard | 2512 | MS/RI | 527.94 ± 1.84 | 543.97 ± 14.99 | 840.13 ± 26.60 | 204.68 ± 16.87 | - | - | - | 835.97 ± 5.84 | 965.27 ± 12.27 | - | 387.49 ± 6.35 | 559.31 ± 6.19 | - | 182.63 ± 3.23 | 826.44 ± 9.41 | 600.61 ± 18.03 | - | 806.60 ± 45.30 |
12 | 4-hydroxy-3-methoxybenzaldehyde | vanilla | 2520 | MS/RI | 1163.20 ± 28.06 | 938.21 ± 12.55 | 659.00 ± 12.82 | - | 930.42 ± 38.08 | 1330.74 ± 17.04 | 1123.39 ± 38.79 | 1146.19 ± 38.02 | 1256.95 ± 36.57 | 796.62 ± 26.25 | 707.06 ± 24.88 | 813.25 ± 12.95 | 282.85 ± 23.12 | 337.09 ± 7.33 | 1009.19 ± 14.03 | 694.32 ± 19.89 | 562.95 ± 26.69 | 851.26 ± 25.56 |
13 | 3,5-dimethoxy-4-hydroxybenzaldehyde | sweet, cocoa, nutty | 2905 | MS/RI/O | 4115.06 ± 183.57 | 3970.11 ± 230.98 | 3258.76 ± 103.02 | 4530.25 ± 115.07 | 1861.44 ± 137.60 | 1393.28 ± 152.55 | 5558.03 ± 199.50 | - | - | - | - | - | 4106.21 ± 220.69 | 2356.17 ± 61.68 | 4986.34 ± 98.27 | 1882.87 ± 82.12 | 1255.94 ± 14.65 | 3220.19 ± 164.10 |
14 | 4-hydroxybenzaldehyde | creamy, musty | 2908 | MS/RI | - | - | - | - | - | 1990.86 ± 53.37 | - | 6374.49 ± 82.32 | 6982.29 ± 125.16 | - | 3014.51 ± 138.30 | - | - | - | - | - | - | - |
Content of total aldehydes | 6385.24 | 5997.9 | 5266.58 | 5164.31 | 2978.87 | 5228.9 | 7131.65 | 8643.72 | 9582.77 | 1302.75 | 4580.22 | 1975.62 | 4641.19 | 3107.25 | 7321.25 | 3624.02 | 2028.87 | 5173.18 | ||||
15 | 2,6-di-tert-butyl-4-methylphenol | camphor | 1904 | MS/RI/O | 6272.71 ± 42.00 | 6702.74 ± 109.26 | 6540.27 ± 49.48 | 5238.74 ± 73.22 | 4705.80 ± 38.67 | 5559.88 ± 55.06 | 6468.03 ± 79.39 | 7106.41 ± 74.89 | 6733.20 ± 53.34 | 5149.51 ± 72.96 | 5177.12 ± 46.93 | 7033.33 ± 25.56 | 6293.40 ± 47.17 | 5659.68 ± 67.47 | 7638.60 ± 69.28 | 7938.76 ± 88.45 | 5115.72 ± 52.86 | 3851.64 ± 64.59 |
16 | 4-ethenyl-2-methoxyphenol | clove, curry | 2168 | MS/RI | 3571.11 ± 211.98 | 3749.85 ± 126.32 | 3296.40 ± 110.64 | 3640.61 ± 173.25 | 2405.55 ± 54.02 | 3822.00 ± 212.87 | 3438.47 ± 193.67 | 1672.14 ± 135.59 | 4249.96 ± 176.21 | 4588.34 ± 344.50 | 1419.61 ± 117.81 | 2766.58 ± 282.45 | 3400.23 ± 161.64 | 3112.76 ± 217.96 | 4595.74 ± 345.42 | 3222.71 ± 211.17 | 2317.34 ± 178.28 | 1808.79 ± 133.86 |
17 | 2,4-di-tert-butylphenol | phenolic | 2292 | MS/RI | 644.13 ± 80.76 | 456.81 ± 31.92 | 1052.57 ± 17.01 | 765.57 ± 39.53 | 332.60 ± 19.04 | 947.69 ± 13.41 | 1292.16 ± 26.55 | - | 1359.89 ± 78.31 | 467.47 ± 30.26 | 323.04 ± 21.63 | 1207.83 ± 109.14 | 446.63 ± 20.55 | 684.35 ± 35.98 | 675.77 ± 60.09 | 705.89 ± 49.64 | 498.28 ± 14.81 | 558.50 ± 25.05 |
18 | 2-methoxy-4-propenylphenol | flower | 2250 | MS/RI | - | - | - | - | 149.00 ± 15.25 | - | - | - | - | - | - | - | - | - | - | - | - | 391.82 ± 19.80 |
19 | (E)-4-propenyl-2-methoxyphenol | flower | 2315 | MS/RI | 630.45 ± 15.19 | 622.41 ± 11.80 | 689.57 ± 19.91 | - | - | 372.06 ± 21.68 | 605.14 ± 18.49 | - | - | - | - | - | 619.56 ± 48.92 | 563.39 ± 38.89 | 907.11 ± 87.87 | 662.54 ± 23.60 | 434.79 ± 35.66 | - |
20 | 4-allyl-2,6-dimethoxyphenol | sweet, flower | 2510 | MS/RI/O | - | - | - | - | - | 72.86 ± 9.71 | 440.73 ± 32.29 | - | 243.43 ± 15.50 | - | - | - | 129.33 ± 13.43 | - | - | 269.60 ± 18.11 | 132.49 ± 14.66 | - |
21 | 4-ethenyl-2,6-dimethoxy-phenol | animal leather | 2541 | MS/RI | 893.16 ± 23.65 | 799.51 ± 17.03 | 916.48 ± 36.36 | 655.80 ± 23.22 | 321.18 ± 28.46 | 835.89 ± 38.06 | 1183.04 ± 31.14 | 803.61 ± 72.23 | 1461.19 ± 29.31 | 1365.67 ± 76.92 | 746.52 ± 42.58 | 634.98 ± 13.65 | 572.43 ± 51.73 | 807.85 ± 70.45 | 1249.40 ± 36.45 | 1069.77 ± 73.55 | 718.19 ± 34.31 | 1237.55 ± 79.52 |
22 | 2-methoxy-4-acetylphenol | vanilla | 2640 | MS/RI/O | - | - | - | - | 352.34 ± 24.92 | - | 693.73 ± 55.31 | 808.51 ± 34.53 | 638.98 ± 11.43 | 1094.03 ± 62.69 | 935.46 ± 64.81 | 584.08 ± 42.12 | 855.15 ± 69.12 | - | - | - | 669.33 ± 59.70 | 649.86 ± 47.29 |
Content of total phenols | 12,011.56 | 12,331.32 | 12,495.29 | 10,300.72 | 8266.47 | 11,610.38 | 14,121.3 | 10,390.67 | 14,686.65 | 12,665.02 | 8601.75 | 12,226.8 | 12,316.73 | 10,828.03 | 15,066.62 | 13,869.27 | 9886.14 | 8498.16 | ||||
23 | acetic acid | sour | 1415 | MS/RI/O | 10,184.79 ± 464.53 | 10,757.27 ± 305.67 | 2778.13 ± 46.39 | 6350.81 ± 222.21 | 6432.09 ± 175.47 | 5900.64 ± 582.42 | 6650.69 ± 245.63 | 4210.80 ± 330.79 | 2977.92 ± 249.84 | 10,999.92 ± 407.67 | 5047.46 ± 287.21 | 11,141.62 ± 393.70 | 4237.56 ± 172.97 | 1068.38 ± 53.52 | 12,748.83 ± 163.89 | 9209.62 ± 249.19 | 5570.25 ± 363.18 | 10,334.03 ± 261.79 |
24 | formic acid | acetic, astringent, fruity | 1489 | MS/RI/O | 249.89 ± 11.00 | 123.64 ± 7.91 | 219.04 ± 9.56 | 195.29 ± 11.26 | 84.47 ± 6.03 | 96.96 ± 8.18 | - | - | - | - | - | - | 91.75 ± 13.52 | - | 389.25 ± 20.61 | 426.15 ± 37.81 | - | 286.39 ± 23.78 |
25 | propanoic acid | pungent, rancid, soy | 1526 | MS/RI/O | 821.24 ± 27.91 | 619.01 ± 37.09 | 644.68 ± 16.61 | 396.79 ± 26.64 | 303.37 ± 5.15 | 260.37 ± 16.25 | 332.73 ± 19.43 | 147.19 ± 14.68 | 329.19 ± 2.45 | 457.22 ± 9.98 | 280.06 ± 14.46 | 653.58 ± 28.53 | 425.26 ± 19.38 | 299.24 ± 25.79 | 1143.61 ± 18.50 | 994.93 ± 49.00 | 515.40 ± 13.38 | 344.61 ± 26.73 |
26 | 2-methylpropionic acid | rancid, butter, cheese | 1563 | MS/RI | 519.47 ± 21.24 | 325.82 ± 19.73 | 264.85 ± 9.33 | 120.82 ± 9.90 | 166.03 ± 2.88 | 4.00 ± 0.24 | - | - | 88.45 ± 8.92 | 278.92 ± 25.60 | 272.22 ± 18.48 | 322.66 ± 11.67 | - | 153.86 ± 29.30 | 621.60 ± 24.32 | 768.20 ± 37.42 | 342.05 ± 10.18 | - |
27 | butanoic acid | rancid, cheese, sweat | 1607 | MS/RI/O | 2660.81 ± 89.68 | 2644.03 ± 91.30 | 614.21 ± 9.49 | 2513.84 ± 26.28 | 1227.91 ± 39.85 | 1421.39 ± 43.73 | 810.96 ± 56.86 | 192.43 ± 16.79 | 1269.77 ± 80.47 | 1178.36 ± 29.86 | 168.86 ± 8.63 | 440.72 ± 17.86 | 1266.55 ± 13.63 | 837.56 ± 53.38 | 4204.64 ± 71.97 | 2118.54 ± 37.34 | 1154.60 ± 33.74 | - |
28 | 3-methylbutanoic acid | sweat, acid, rancid | 1665 | MS/RI/O | 1633.63 ± 125.32 | 1076.75 ± 113.20 | 645.70 ± 71.56 | 306.69 ± 15.93 | - | 12.90 ± 0.34 | 271.65 ± 16.23 | 116.04 ± 14.73 | 218.33 ± 20.09 | 884.46 ± 15.52 | 810.07 ± 53.66 | 710.73 ± 29.15 | 1123.49 ± 87.06 | 566.92 ± 16.79 | 1390.95 ± 38.95 | 1609.20 ± 36.46 | - | - |
29 | 2-methylbutanoic acid | cheese, sweat | 1651 | MS/RI/O | - | - | - | - | - | 373.25 ± 28.50 | - | - | - | - | - | - | - | - | - | - | - | - |
30 | 2-methylpentanoic acid | buttery, creamy | 1728 | MS/RI/O | - | - | - | 183.26 ± 5.52 | - | 37.89 ± 3.86 | - | - | - | - | - | - | - | - | - | - | 302.40 ± 19.20 | - |
31 | 4-methylpentanoic acid | pungent cheese | 1820 | MS/RI/O | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 119.80 ± 6.83 | 56.28 ± 4.95 |
32 | hexanoic acid | sweat | 1826 | MS/RI/O | 300.51 ± 7.89 | 597.73 ± 14.47 | 487.13 ± 17.43 | 280.13 ± 27.04 | 283.56 ± 12.23 | 435.09 ± 35.20 | 280.31 ± 18.91 | - | 155.31 ± 12.61 | 453.98 ± 23.33 | 119.62 ± 11.23 | 112.67 ± 9.39 | 580.84 ± 13.70 | 441.59 ± 28.07 | 727.74 ± 38.34 | 728.69 ± 15.97 | 383.25 ± 13.93 | 78.31 ± 3.80 |
33 | octanoic acid | sweat, cheese | 2083 | MS/RI/O | 228.77 ± 6.47 | 267.60 ± 21.47 | - | - | - | - | - | - | - | - | - | - | - | 262.06 ± 13.93 | 252.12 ± 24.62 | 487.06 ± 38.82 | - | - |
34 | nonanoic acid | green, fat | 2147 | MS/RI/O | - | - | - | - | - | 413.10 ± 28.63 | - | - | - | - | - | - | - | - | - | - | - | 227.94 ± 12.15 |
35 | levulinic acid | acidic, sweet, creamy | 2312 | MS/RI | 587.58 ± 22.24 | 584.31 ± 18.74 | 589.85 ± 16.89 | - | - | - | - | - | 306.63 ± 20.02 | - | 338.16 ± 17.34 | 530.63 ± 35.66 | - | - | 653.12 ± 14.73 | 424.09 ± 35.11 | - | - |
36 | benzoic acid | urine | 2392 | MS/RI/O | 3080.65 ± 130.04 | 3564.46 ± 241.54 | 4062.78 ± 303.13 | 2709.59 ± 234.74 | 1609.97 ± 79.53 | 1795.59 ± 129.38 | 3194.93 ± 194.09 | 1982.81 ± 136.80 | 2736.59 ± 235.52 | 3573.53 ± 145.40 | 1480.40 ± 134.07 | 2837.50 ± 175.53 | 2965.81 ± 197.60 | 1857.28 ± 192.93 | 4446.03 ± 192.35 | 4751.21 ± 272.41 | 1872.63 ± 65.71 | 2262.00 ± 138.28 |
37 | dodecanoic acid | metal | 2517 | MS/RI | 555.78 ± 15.49 | 708.53 ± 18.03 | 575.78 ± 16.57 | 215.12 ± 19.98 | - | - | - | - | - | - | - | - | - | 438.26 ± 33.22 | 750.95 ± 39.27 | 504.14 ± 42.56 | 222.18 ± 21.86 | - |
38 | phenylacetic acid | honey, flower | 2551 | MS/RI/O | 1468.96 ± 56.27 | 1173.77 ± 75.04 | 1187.97 ± 92.84 | 880.89 ± 63.45 | 730.30 ± 47.81 | 47.37 ± 3.63 | 1267.41 ± 64.32 | - | 945.30 ± 61.58 | 1180.95 ± 82.76 | 741.94 ± 40.05 | 1353.01 ± 89.13 | 526.12 ± 26.32 | 903.11 ± 25.21 | 1487.08 ± 19.13 | 1976.49 ± 49.24 | 747.98 ± 54.78 | 606.57 ± 35.96 |
39 | 3-phenylpropionic acid | balsamic | 2650 | MS/RI/O | - | - | - | 156.03 ± 11.33 | - | 10.79 ± 0.95 | - | - | - | - | - | - | - | - | - | - | - | - |
40 | tetradecanoic acid | sweet, spicy, carnation | 2674 | MS/RI | 821.53 ± 67.39 | 1273.66 ± 98.64 | 457.82 ± 19.58 | - | - | 173.22 ± 16.83 | - | - | - | - | - | - | - | 498.30 ± 17.36 | 975.39 ± 21.75 | 631.33 ± 10.41 | 252.25 ± 17.50 | - |
41 | pentadecanoic acid | waxy | 2784 | MS/RI/O | 904.37 ± 37.76 | 1205.19 ± 44.08 | 867.02 ± 48.07 | 423.32 ± 20.01 | - | 806.02 ± 71.41 | 586.50 ± 17.13 | - | - | - | - | - | - | 733.11 ± 17.63 | 1093.45 ± 76.47 | 886.36 ± 59.46 | 381.02 ± 26.80 | - |
42 | 3-phenyl-2-propenoic acid | balsam, sweet, storax | 2815 | MS/RI | - | 502.70 ± 18.02 | - | - | 329.63 ± 27.74 | 555.52 ± 31.40 | 693.22 ± 19.57 | - | - | 1366.71 ± 46.48 | 904.32 ± 31.86 | 502.43 ± 39.39 | - | - | 871.20 ± 27.75 | 491.13 ± 25.65 | 416.66 ± 18.74 | - |
43 | n-hexadecanoic acid | fatty | 2903 | MS/RI | 11,549.66 ± 283.92 | 12,914.61 ± 160.72 | 8039.99 ± 159.00 | 6586.75 ± 270.87 | 4432.49 ± 192.77 | 8965.43 ± 247.84 | 6422.49 ± 176.26 | 13,536.74 ± 152.68 | 3748.63 ± 233.13 | 17,908.48 ± 240.92 | 5811.71 ± 96.26 | 3458.70 ± 197.36 | 9174.60 ± 92.17 | 6027.10 ± 231.08 | 15,086.68 ± 176.07 | 9036.63 ± 202.89 | 3926.92 ± 280.51 | 4354.01 ± 214.68 |
Content of total carboxylic acids | 35,567.64 | 38,339.08 | 21,434.95 | 21,319.33 | 15,599.82 | 21,309.53 | 20,510.89 | 20,186.01 | 12,776.12 | 38,282.53 | 15,974.82 | 22,064.25 | 20,391.98 | 14,086.77 | 46,842.64 | 35,043.77 | 16,207.39 | 18,550.14 | ||||
44 | 2-methyl-4,5-dihydro-3(2H)-furanone | nutty, creamy | 1253 | MS/RI/O | 341.22 ± 28.42 | 1177.87 ± 50.20 | 513.32 ± 23.30 | 276.67 ± 4.52 | 70.39 ± 4.46 | 327.17 ± 28.81 | 202.04 ± 17.85 | 291.29 ± 28.07 | 93.57 ± 6.69 | 712.73 ± 89.42 | 141.35 ± 12.32 | 173.07 ± 3.56 | 701.59 ± 29.98 | 1141.42 ± 76.00 | 391.82 ± 12.71 | 578.35 ± 18.67 | 726.04 ± 22.75 | 1389.22 ± 47.00 |
45 | 3-hydroxy-2-butanone | butter, cream | 1272 | MS/RI | 91.84 ± 7.28 | 126.67 ± 7.48 | 124.74 ± 9.98 | 103.62 ± 3.31 | - | 163.28 ± 2.03 | 253.98 ± 9.70 | 145.05 ± 8.21 | 47.80 ± 1.02 | 123.45 ± 4.66 | 32.46 ± 4.69 | 68.52 ± 1.15 | 97.36 ± 7.88 | 74.92 ± 5.14 | 79.07 ± 3.53 | 80.41 ± 3.66 | 56.30 ± 2.47 | 105.69 ± 8.71 |
46 | 1-hydroxy-2-propanone | sweet | 1287 | MS/RI/O | 457.94 ± 39.12 | 582.30 ± 18.77 | 605.26 ± 9.93 | 438.74 ± 12.52 | 206.31 ± 12.44 | 652.59 ± 47.59 | 841.13 ± 59.74 | 715.56 ± 23.75 | 503.38 ± 2.41 | 505.10 ± 33.50 | 220.33 ± 5.58 | 211.55 ± 20.44 | 458.82 ± 7.71 | 360.04 ± 29.17 | 382.45 ± 17.01 | 461.70 ± 11.83 | 355.89 ± 14.98 | 438.74 ± 30.24 |
47 | 1-hydroxy-2-butanone | oily, alcoholic | 1375 | MS/RI/O | 39.22 ± 2.39 | 111.06 ± 5.97 | 41.37 ± 3.74 | 43.91 ± 3.57 | - | 16.70 ± 0.68 | - | 76.40 ± 7.75 | 82.88 ± 4.40 | 62.58 ± 4.71 | - | 24.26 ± 1.31 | 56.34 ± 6.77 | 46.29 ± 6.89 | 63.27 ± 6.83 | 56.43 ± 3.28 | - | - |
48 | 1-acetoxy-2-propanone | fruity, nutty | 1451 | MS/RI/O | 118.22 ± 4.77 | 230.25 ± 15.43 | 187.71 ± 12.77 | 168.77 ± 15.67 | - | 66.52 ± 6.06 | 218.30 ± 12.12 | 159.99 ± 17.64 | 115.45 ± 11.12 | 245.41 ± 19.90 | 139.08 ± 6.91 | 235.11 ± 24.82 | 176.14 ± 11.14 | 191.49 ± 11.15 | 132.61 ± 7.14 | 177.62 ± 9.60 | 125.30 ± 4.14 | 131.45 ± 4.25 |
49 | 4,5-dihydro-5-methyl-2(3H)-furanone | sweet, cocoa, woody | 1590 | MS/RI | 65.34 ± 7.38 | 113.07 ± 5.93 | 89.27 ± 2.10 | - | - | - | - | - | - | - | - | - | - | - | - | 90.38 ± 5.27 | - | - |
50 | 2(5H)-furanone | buttery | 1727 | MS/RI/O | 475.08 ± 10.84 | 581.86 ± 9.05 | 479.55 ± 13.75 | - | - | 145.49 ± 10.40 | 394.39 ± 11.56 | 265.72 ± 18.69 | 286.88 ± 27.60 | 221.84 ± 19.51 | 203.23 ± 15.77 | 363.54 ± 28.70 | - | 232.91 ± 14.77 | 712.75 ± 37.46 | 266.08 ± 24.57 | - | 154.22 ± 8.91 |
51 | 3-methyl-1,2-cyclopentanedione | sweet, maple, bready | 1781 | MS/RI/O | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 361.67 ± 24.53 |
52 | 2-hydroxy-3-methyl-2-cyclopenten-1-one | caramellic | 1807 | MS/RI/O | 468.60 ± 24.21 | 482.48 ± 34.60 | 707.42 ± 68.00 | 283.22 ± 26.02 | 182.61 ± 11.36 | 588.56 ± 57.85 | 879.99 ± 59.16 | 726.67 ± 69.62 | 745.18 ± 66.72 | 519.02 ± 24.12 | 186.46 ± 22.90 | 476.39 ± 46.95 | 681.71 ± 49.56 | 637.34 ± 38.58 | 716.33 ± 14.99 | 684.63 ± 28.94 | 248.07 ± 2.51 | - |
53 | 3-hydroxyl-2-methyl-4H-pyran-4-one | caramel | 1931 | MS/RI | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 201.59 ± 23.74 | 94.06 ± 7.11 |
54 | 2(3H)-furanone | cotton candy | 2002 | MS/RI/O | 974.60 ± 62.46 | 721.47 ± 64.38 | 1069.93 ± 92.52 | 351.84 ± 39.07 | 292.08 ± 13.56 | 470.52 ± 30.39 | 631.95 ± 22.11 | 615.99 ± 36.85 | 655.84 ± 55.61 | 705.84 ± 16.73 | 496.09 ± 31.24 | 977.50 ± 56.20 | 560.98 ± 8.63 | 596.89 ± 59.04 | 1123.58 ± 46.28 | 1324.65 ± 17.01 | 397.11 ± 16.87 | 323.38 ± 29.23 |
55 | 2,5-dimethyl-4-hydroxy-3(2H)-furanone | caramel | 2012 | MS/RI/O | 271.76 ± 26.35 | 326.77 ± 19.05 | 454.38 ± 18.37 | 230.03 ± 13.34 | 123.31 ± 4.96 | 731.60 ± 15.54 | 2168.59 ± 55.50 | 1158.64 ± 13.07 | 298.58 ± 23.33 | 471.80 ± 39.52 | 69.64 ± 3.26 | 144.05 ± 13.78 | 415.29 ± 14.57 | 861.94 ± 90.58 | 625.51 ± 26.54 | 529.53 ± 18.15 | - | 141.69 ± 16.00 |
56 | 4-hydroxy-5-methyl-3-(2H)-furanone | caramel | 2113 | MS/RI/O | - | - | - | 181.54 ± 21.75 | - | 19.69 ± 1.35 | 612.25 ± 48.80 | - | - | - | - | - | - | - | - | - | - | 99.22 ± 7.93 |
57 | 4-hydroxyacetophenone | sweet | 2958 | MS/RI/O | 1461.87 ± 17.59 | 1892.62 ± 25.11 | 1469.22 ± 34.48 | - | - | - | 1546.24 ± 57.40 | - | - | - | - | - | - | 1656.02 ± 57.98 | 2234.53 ± 34.42 | 1370.88 ± 77.57 | 1132.23 ± 64.94 | - |
Content of total ketones | 4765.69 | 6346.42 | 5742.17 | 2078.34 | 874.7 | 3182.12 | 7748.86 | 4155.31 | 2829.56 | 3567.77 | 1488.64 | 2673.99 | 3148.23 | 5799.26 | 6461.92 | 5620.66 | 3242.53 | 3239.34 | ||||
58 | dimethyl butanedioate | sweet, fruity, green | 1558 | MS/RI | - | - | - | - | - | - | - | - | - | 590.16 ± 16.86 | - | - | 120.03 ± 12.32 | - | - | - | - | - |
59 | γ-butyrolactone | caramel, sweet | 1647 | MS/RI | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 193.04 ± 34.38 |
60 | dimethyl glutarate | floral | 1687 | MS/RI | - | - | - | - | - | - | - | - | - | 2030.19 ± 99.86 | - | - | 1039.76 ± 40.69 | - | - | - | - | - |
61 | benzyl benzoate | balsamic, oil, herb | 2592 | MS/RI | - | - | - | 205.81 ± 17.70 | - | 503.82 ± 28.75 | 621.78 ± 52.33 | - | 503.64 ± 41.22 | - | 431.15 ± 37.87 | 482.89 ± 31.13 | 510.18 ± 36.70 | 381.49 ± 27.23 | 682.59 ± 34.84 | 514.18 ± 27.27 | - | - |
62 | dibutyl phthalate | faint odor | 2705 | MS/RI | 1264.25 ± 33.84 | 1113.96 ± 65.74 | 810.31 ± 68.93 | 1061.36 ± 22.53 | 979.13 ± 65.98 | 373.31 ± 25.22 | 1089.36 ± 16.24 | - | 1202.60 ± 47.72 | 977.92 ± 29.04 | 735.97 ± 19.95 | - | 2530.75 ± 52.67 | - | 1333.62 ± 38.03 | 2536.41 ± 162.39 | 955.08 ± 69.59 | 1694.09 ± 93.37 |
Content of total esters | 1264.25 | 1113.96 | 810.31 | 1267.17 | 979.13 | 877.13 | 1711.14 | 0 | 1706.24 | 3598.27 | 1167.12 | 482.89 | 4200.72 | 381.49 | 2016.21 | 3050.59 | 955.08 | 1887.13 | ||||
63 | 2-methylpyrazine | popcorn | 1259 | MS/RI | 366.92 ± 30.48 | 662.33 ± 40.09 | 159.11 ± 11.85 | 402.41 ± 7.65 | 112.41 ± 5.11 | 854.10 ± 77.77 | 651.18 ± 27.24 | 500.27 ± 17.30 | 235.82 ± 8.38 | 561.03 ± 42.71 | 76.46 ± 1.56 | 46.44 ± 5.46 | 289.74 ± 9.95 | 196.65 ± 14.01 | 172.90 ± 15.26 | 203.79 ± 21.19 | 88.40 ± 1.38 | - |
64 | 2,5-dimethylpyrazine | cocoa, nutty, roast beef | 1321 | MS/RI/O | 924.49 ± 34.20 | 1938.05 ± 101.57 | 111.73 ± 10.50 | 963.30 ± 10.96 | 201.81 ± 14.82 | 1827.76 ± 35.72 | 1343.97 ± 86.27 | 989.09 ± 53.50 | 1309.65 ± 15.59 | 1748.65 ± 121.67 | 88.92 ± 6.07 | 70.87 ± 2.23 | 1114.25 ± 44.64 | 703.42 ± 34.33 | 419.79 ± 28.03 | 430.64 ± 21.63 | 375.15 ± 3.73 | 93.56 ± 8.17 |
65 | 2,6-dimethylpyrazine | nutty, cocoa, roast beef | 1326 | MS/RI/O | 682.76 ± 22.04 | 1035.34 ± 80.61 | 144.76 ± 15.74 | 983.96 ± 18.81 | 72.49 ± 6.85 | 1094.56 ± 26.51 | 1444.15 ± 48.60 | 1045.87 ± 46.22 | 800.00 ± 42.14 | 946.87 ± 86.05 | 68.92 ± 14.85 | 85.72 ± 11.44 | 693.95 ± 41.35 | 273.74 ± 19.98 | 230.77 ± 22.95 | 289.35 ± 16.10 | 139.77 ± 2.60 | 208.04 ± 17.25 |
66 | 2,3-dimethylpyrazine | nutty, cocoa, meat | 1343 | MS/RI | 125.46 ± 9.27 | 231.83 ± 13.14 | 56.13 ± 2.20 | - | 38.84 ± 3.35 | 325.66 ± 36.06 | 253.09 ± 14.24 | 142.65 ± 9.66 | 72.47 ± 5.15 | 216.09 ± 18.81 | 10.89 ± 1.38 | - | 152.68 ± 11.65 | 73.56 ± 4.48 | 75.96 ± 6.30 | 70.09 ± 5.01 | 42.31 ± 1.02 | - |
67 | 2-ethyl-6-methylpyrazine | roasted hazelnut | 1382 | MS/RI | 69.27 ± 2.41 | 157.44 ± 5.95 | - | 92.61 ± 1.87 | 13.81 ± 2.78 | 88.18 ± 9.04 | 165.64 ± 5.86 | 114.68 ± 7.43 | 58.06 ± 6.05 | 167.14 ± 12.11 | 14.91 ± 1.33 | 19.91 ± 1.53 | 153.89 ± 9.44 | 66.03 ± 4.67 | 52.17 ± 4.62 | 46.08 ± 2.79 | 21.31 ± 0.76 | 5.15 ± 0.38 |
68 | 2-ethyl-5-methylpyrazine | fruit, sweet | 1376 | MS/RI | 55.63 ± 6.94 | 227.21 ± 18.30 | - | - | - | - | 151.24 ± 10.05 | 139.24 ± 7.77 | 123.72 ± 3.04 | 178.42 ± 6.03 | - | 21.87 ± 0.65 | 88.57 ± 8.00 | 105.86 ± 13.64 | 129.60 ± 16.42 | 77.52 ± 8.13 | - | - |
69 | 2,3,5-trimethylpyrazine | roast, potato, must | 1405 | MS/RI/O | - | - | - | 180.76 ± 15.90 | 35.78 ± 3.42 | 306.68 ± 21.34 | 249.04 ± 14.64 | 250.84 ± 14.85 | 40.86 ± 3.21 | - | 46.57 ± 3.30 | - | - | 125.18 ± 7.11 | - | - | - | 33.86 ± 3.99 |
70 | 2,5-dimethyl-3-ethylpyrazine | potato, roast | 1445 | MS/RI/O | 151.21 ± 12.91 | 315.82 ± 12.23 | - | 157.83 ± 2.51 | - | 338.49 ± 32.43 | - | - | - | - | - | - | 109.14 ± 7.37 | 201.75 ± 16.35 | 138.27 ± 14.70 | 119.00 ± 1.38 | - | - |
71 | 2,6-dimethyl-3-ethylpyrazine | potato | 1455 | MS/RI/O | - | - | - | - | 79.78 ± 4.61 | 186.16 ± 12.73 | 412.18 ± 36.51 | 272.34 ± 16.48 | 203.53 ± 6.05 | 286.15 ± 18.85 | - | - | - | - | - | - | 82.88 ± 8.05 | - |
72 | 2-methyl-6-vinylpyrazine | hazelnut | 1487 | MS/RI | - | - | - | - | - | 177.67 ± 24.80 | 688.17 ± 39.07 | 665.08 ± 41.61 | 311.55 ± 14.08 | - | 181.63 ± 8.49 | 550.08 ± 34.15 | - | 133.21 ± 8.77 | - | - | - | - |
73 | 2-acetyl-5-methylpyrazine | popcorn | 1664 | MS/RI/O | - | - | - | 156.34 ± 13.27 | - | 218.85 ± 16.63 | - | - | - | - | - | - | - | - | - | - | - | - |
74 | 2-acetyl-6-methylpyrazine | coffee, cocoa, popcorn | 1673 | MS/RI/O | 251.42 ± 21.79 | 419.45 ± 28.68 | - | 141.33 ± 9.04 | - | 245.73 ± 14.16 | 183.55 ± 23.20 | 144.23 ± 7.83 | 121.93 ± 11.22 | 218.58 ± 16.46 | - | - | - | 408.61 ± 9.22 | - | 113.67 ± 8.19 | 96.94 ± 7.01 | - |
Content of total pyrazines | 2627.16 | 4987.47 | 471.73 | 3078.54 | 554.92 | 5663.84 | 5542.21 | 4264.29 | 3277.59 | 4322.93 | 488.3 | 794.89 | 2602.22 | 2288.01 | 1219.46 | 1350.14 | 846.76 | 340.61 | ||||
75 | 2-acetylpyrrole | nutty, walnut, bread | 1947 | MS/RI | 679.69 ± 54.14 | 856.53 ± 39.09 | 1676.37 ± 66.60 | 531.22 ± 38.42 | 111.84 ± 5.12 | 791.31 ± 37.88 | 2227.41 ± 88.13 | 2964.65 ± 58.72 | 2703.33 ± 101.11 | 747.17 ± 33.20 | 461.32 ± 47.83 | 1263.31 ± 41.84 | 855.32 ± 80.10 | 1610.00 ± 150.67 | 942.57 ± 99.06 | 1761.17 ± 84.12 | 1298.42 ± 59.86 | 971.33 ± 70.56 |
76 | 2-acetylfuran | balsamic | 1490 | MS/RI/O | - | - | - | - | - | 5.27 ± 0.85 | - | 231.24 ± 17.91 | 103.74 ± 7.62 | - | 37.99 ± 2.05 | 72.73 ± 1.11 | - | - | - | - | - | 54.65 ± 3.48 |
77 | (+)-limonene | citrus, mint | 1201 | MS/RI | - | - | - | - | 48.67 ± 3.12 | - | 210.31 ± 21.01 | - | - | - | 71.37 ± 2.85 | 99.25 ± 2.63 | 69.37 ± 7.74 | 69.29 ± 5.81 | 89.42 ± 6.55 | 51.53 ± 3.80 | - | - |
78 | phenylethylene | balsamic, gasoline | 1247 | MS/RI/O | 651.29 ± 54.83 | 613.81 ± 14.74 | 573.68 ± 15.42 | 451.99 ± 11.84 | 160.07 ± 12.09 | 457.61 ± 37.97 | 546.32 ± 24.83 | 469.44 ± 28.01 | 511.72 ± 22.34 | 984.77 ± 64.37 | 984.42 ± 73.21 | 1025.24 ± 14.21 | 500.79 ± 9.91 | 459.13 ± 34.72 | 564.51 ± 15.57 | 601.32 ± 18.81 | 471.01 ± 19.63 | 162.20 ± 23.00 |
79 | methyl sulfoxide | garlic | 1576 | MS/RI | 151.90 ± 19.28 | 176.80 ± 8.92 | 63.28 ± 7.19 | 89.59 ± 3.82 | 49.16 ± 4.14 | 2.89 ± 1.67 | - | - | - | - | - | - | - | 178.52 ± 18.72 | 237.91 ± 15.70 | 207.83 ± 13.45 | 151.60 ± 18.19 | 42.30 ± 4.61 |
80 | 1,3-dimethoxy-2-hydroxybenzene | medicine, phenol, smoke | 2296 | MS/RI | - | - | - | - | - | - | - | - | - | - | - | - | 1138.32 ± 54.20 | - | - | - | - | - |
Content of other compounds | 1482.88 | 1647.14 | 2313.33 | 1072.8 | 369.74 | 1257.08 | 2984.04 | 3665.33 | 3318.79 | 1731.94 | 1555.1 | 2460.53 | 2563.8 | 2316.94 | 1834.41 | 2621.85 | 1921.03 | 1230.48 | ||||
Total identified/detected | 64,961.64 | 71,582.58 | 49,513.54 | 44,621.28 | 29,838.12 | 50,157.17 | 62,834.03 | 52,955.68 | 49,043.58 | 67,058.74 | 34,230.43 | 44,434.45 | 50,920.49 | 40,020.24 | 81,910.39 | 66,560.3 | 35,438.61 | 39,740.67 |
No. | Compounds a | OT (ng/g) b | GD1 | GD2 | GD3 | GD4 | GD5 | GD6 | GX1 | GX2 | GX3 | GX4 | GX5 | GX6 | YN1 | YN2 | YN3 | YN4 | YN5 | YN6 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 | pentadecanoic acid | 500 | 2 | 2 | 2 | 1 | - | 2 | 1 | - | - | - | - | - | - | 1 | 2 | 2 | 1 | - |
2 | 2-methylbutanoic acid | 20 | - | - | - | - | - | 19 | - | - | - | - | - | - | - | - | - | - | - | - |
3 | 3-methylbutanoic acid | 1.8 | 908 | 598 | 359 | 170 | - | 7 | 151 | 64 | 121 | 491 | 450 | 395 | 624 | 315 | 773 | 894 | - | - |
4 | 4-methylpentanoic acid | 1.9 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 63 | 30 |
5 | acetic acid | 13 | 783 | 827 | 214 | 489 | 495 | 454 | 512 | 324 | 229 | 846 | 388 | 857 | 326 | 82 | 981 | 708 | 428 | 795 |
6 | benzoic acid | 1000 | 3 | 4 | 4 | 3 | 2 | 2 | 3 | 2 | 3 | 4 | 1 | 3 | 3 | 2 | 4 | 5 | 2 | 2 |
7 | butanoic acid | 20 | 133 | 132 | 31 | 126 | 61 | 71 | 41 | 10 | 63 | 59 | 8 | 22 | 63 | 42 | 210 | 106 | 58 | - |
8 | hexanoic acid | 4.8 | 63 | 125 | 101 | 58 | 59 | 91 | 58 | - | 32 | 95 | 25 | 23 | 121 | 92 | 152 | 152 | 80 | 16 |
9 | nonanoic acid | 1.6 | - | - | - | - | - | 258 | - | - | - | - | - | - | - | - | - | - | - | 142 |
10 | octanoic acid | 22 | 10 | 12 | - | - | - | - | - | - | - | - | - | - | - | 12 | 11 | 22 | - | - |
11 | phenylacetic acid | 17 | 86 | 69 | 70 | 52 | 43 | 3 | 75 | - | 56 | 69 | 44 | 80 | 31 | 53 | 87 | 116 | 44 | 36 |
12 | hexanal | 1.4 | 286 | 200 | 224 | 220 | 107 | 186 | 165 | 41 | 93 | 210 | 149 | 131 | 148 | 26 | 165 | 173 | 111 | 130 |
13 | (E)-2-nonenal | 0.19 | 296 | 502 | 359 | 374 | 195 | 450 | - | 315 | 180 | 319 | 388 | 419 | 233 | 373 | 575 | 423 | - | - |
14 | 3,5-dimethoxy-4-hydroxybenzaldehyde | 1900 | 2 | 2 | 2 | 2 | 1 | 1 | 3 | - | - | - | - | - | 2 | 1 | 3 | 1 | 1 | 2 |
15 | benzaldehyde | 60 | 1 | 2 | 1 | - | - | 3 | - | - | 1 | 2 | 1 | 2 | - | 1 | 1 | 1 | 1 | - |
16 | 3-methyl-1,2-cyclopentanedione | 26 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 14 |
17 | 2-hydroxy-3-methyl-2-cyclopenten-1-one | 10 | 47 | 48 | 71 | 28 | 18 | 59 | 88 | 73 | 75 | 52 | 19 | 48 | 68 | 64 | 72 | 68 | 25 | - |
18 | 2,5-dimethyl-4-hydroxy-3(2H)-furanone | 1.6 | 170 | 204 | 284 | 144 | 77 | 457 | 1355 | 724 | 187 | 295 | 44 | 90 | 260 | 539 | 391 | 331 | - | 89 |
19 | 4-hydroxy-5-methyl-3-(2H)-furanone | 500 | - | - | - | <1 | - | <1 | 1 | - | - | - | - | - | - | - | - | - | - | <1 |
20 | phenylethylene | 37 | 18 | 17 | 16 | 12 | 4 | 12 | 15 | 13 | 14 | 27 | 27 | 28 | 14 | 12 | 15 | 16 | 13 | 4 |
21 | furfuryl alcohol | 1415 | <1 | <1 | <1 | <1 | <1 | <1 | 1 | 1 | <1 | 1 | <1 | <1 | 1 | 1 | <1 | <1 | <1 | <1 |
22 | 2,3,5-trimethylpyrazine | 23 | - | - | - | 8 | 2 | 13 | 11 | 11 | 2 | - | 2 | - | - | 5 | - | - | - | 1 |
23 | 2,5-dimethylpyrazine | 80 | 12 | 24 | 1 | 12 | 3 | 23 | 17 | 12 | 16 | 22 | 1 | 1 | 14 | 9 | 5 | 5 | 5 | 1 |
24 | 2,6-dimethyl-3-ethylpyrazine | 0.04 | - | - | - | - | 1995 | 4654 | 10,305 | 6809 | 5088 | 7154 | - | - | - | - | - | - | 2072 | - |
25 | 2,6-dimethylpyrazine | 250 | 3 | 4 | 1 | 4 | <1 | 4 | 6 | 4 | 3 | 4 | <1 | <1 | 3 | 1 | 1 | 1 | 1 | 1 |
26 | 2-acetyl-6-methylpyrazine | 300 | 1 | 1 | - | <1 | - | 1 | 1 | <1 | <1 | 1 | - | - | - | 1 | - | <1 | <1 | - |
No. | Compounds | Guangdong | Guangxi | Yunnan | |||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Guangdong1 | Guangdong2 | Guangdong3 | Guangdong4 | Guangdong5 | Guangdong6 | Guangxi1 | Guangxi2 | Guangxi3 | Guangxi4 | Guangxi5 | Guangxi6 | Yunnan1 | Yunnan2 | Yunnan3 | Yunnan4 | Yunnan5 | Yunnan6 | ||
1 | 2,3-butanediol | 265.09 | 184.68 | 76.15 | 209.6 | 83.16 | 179.33 | 296.97 | 0 | 114.44 | 256.59 | 81.45 | 1019.88 | 173.87 | 256.31 | 466.38 | 410.5 | 165.52 | 50.48 |
2 | propylene glycol | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 75.58 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
3 | hexanal | 399.76 | 279.98 | 313.08 | 308.33 | 150.05 | 260.23 | 230.54 | 57.51 | 130.21 | 294.62 | 209.07 | 182.99 | 207.86 | 36.23 | 231.15 | 241.62 | 155.67 | 182.12 |
4 | (E)-2-nonenal | 56.2 | 95.35 | 68.21 | 71 | 36.96 | 85.51 | 0 | 59.88 | 34.18 | 60.66 | 73.78 | 79.64 | 44.27 | 70.81 | 109.32 | 80.28 | 0 | 0 |
5 | benzaldehyde | 57.98 | 109.82 | 50.92 | 0 | 0 | 168.28 | 0 | 0 | 46.19 | 102.28 | 52.62 | 94.52 | 0 | 49.57 | 69.14 | 58.67 | 54.31 | 0 |
6 | 3,5-dimethoxy-4-hydroxybenzaldehyde | 4115.06 | 3970.11 | 3258.76 | 4530.25 | 1861.44 | 1393.28 | 5558.03 | 0 | 0 | 0 | 0 | 0 | 4106.21 | 2356.17 | 4986.34 | 1882.87 | 1255.94 | 3220.19 |
7 | 2,6-di-tert-butyl-4-methylphenol | 6272.71 | 6702.74 | 6540.27 | 5238.74 | 4705.8 | 5559.88 | 6468.03 | 7106.41 | 6733.2 | 5149.51 | 5177.12 | 7033.33 | 6293.4 | 5659.68 | 7638.6 | 7938.76 | 5115.72 | 3851.64 |
8 | 4-allyl-2,6-dimethoxyphenol | 0 | 0 | 0 | 0 | 0 | 72.86 | 440.73 | 0 | 243.43 | 0 | 0 | 0 | 129.33 | 0 | 0 | 269.6 | 132.49 | 0 |
9 | 2-methoxy-4-acetylphenol | 0 | 0 | 0 | 0 | 352.34 | 0 | 693.73 | 808.51 | 638.98 | 1094.03 | 935.46 | 584.08 | 855.15 | 0 | 0 | 0 | 669.33 | 649.86 |
10 | acetic acid | 10,184.79 | 10,757.27 | 2778.13 | 6350.81 | 6432.09 | 5900.64 | 6650.69 | 4210.8 | 2977.92 | 10,999.92 | 5047.46 | 11,141.62 | 4237.56 | 1068.38 | 12,748.83 | 9209.62 | 5570.25 | 10,334.03 |
11 | methanoic acid | 249.89 | 123.64 | 219.04 | 195.29 | 84.47 | 96.96 | 0 | 0 | 0 | 0 | 0 | 0 | 91.75 | 0 | 389.25 | 426.15 | 0 | 286.39 |
12 | propanoic acid | 821.24 | 619.01 | 644.68 | 396.79 | 303.37 | 260.37 | 332.73 | 147.19 | 329.19 | 457.22 | 280.06 | 653.58 | 425.26 | 299.24 | 1143.61 | 994.93 | 515.4 | 344.61 |
13 | butanoic acid | 2660.81 | 2644.03 | 614.21 | 2513.84 | 1227.91 | 1421.39 | 810.96 | 192.43 | 1269.77 | 1178.36 | 168.86 | 440.72 | 1266.55 | 837.56 | 4204.64 | 2118.54 | 1154.6 | 0 |
14 | 3-methylbutanoic acid | 1633.63 | 1076.75 | 645.7 | 306.69 | 0 | 12.9 | 271.65 | 116.04 | 218.33 | 884.46 | 810.07 | 710.73 | 1123.49 | 566.92 | 1390.95 | 1609.2 | 0 | 0 |
15 | 2-methylbutanoic acid | 0 | 0 | 0 | 0 | 0 | 373.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
16 | 2-methylpentanoic acid | 0 | 0 | 0 | 183.26 | 0 | 37.89 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 302.4 | 0 |
17 | 4-methylpentanoic acid | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 119.8 | 56.28 |
18 | hexanoic acid | 300.51 | 597.73 | 487.13 | 280.13 | 283.56 | 435.09 | 280.31 | 0 | 155.31 | 453.98 | 119.62 | 112.67 | 580.84 | 441.59 | 727.74 | 728.69 | 383.25 | 78.31 |
19 | octanoic acid | 228.77 | 267.6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 262.06 | 252.12 | 487.06 | 0 | 0 |
20 | nonanoic acid | 0 | 0 | 0 | 0 | 0 | 413.1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 227.94 |
21 | benzoic acid | 3080.65 | 3564.46 | 4062.78 | 2709.59 | 1609.97 | 1795.59 | 3194.93 | 1982.81 | 2736.59 | 3573.53 | 1480.4 | 2837.5 | 2965.81 | 1857.28 | 4446.03 | 4751.21 | 1872.63 | 2262 |
22 | phenylacetic acid | 1468.96 | 1173.77 | 1187.97 | 880.89 | 730.3 | 47.37 | 1267.41 | 0 | 945.3 | 1180.95 | 741.94 | 1353.01 | 526.12 | 903.11 | 1487.08 | 1976.49 | 747.98 | 606.57 |
23 | 3-phenylpropionic acid | 0 | 0 | 0 | 156.03 | 0 | 10.79 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
24 | pentadecanoic acid | 904.37 | 1205.19 | 867.02 | 423.32 | 0 | 806.02 | 586.5 | 0 | 0 | 0 | 0 | 0 | 0 | 733.11 | 1093.45 | 886.36 | 381.02 | 0 |
25 | 2-methyl-4,5-dihydro-3(2H)-furanone | 341.22 | 1177.87 | 513.32 | 276.67 | 70.39 | 327.17 | 202.04 | 291.29 | 93.57 | 712.73 | 141.35 | 173.07 | 701.59 | 1141.42 | 391.82 | 578.35 | 726.04 | 1389.22 |
26 | 1-hydroxy-2-propanone | 457.94 | 582.3 | 605.26 | 438.74 | 206.31 | 652.59 | 841.13 | 715.56 | 503.38 | 505.1 | 220.33 | 211.55 | 458.82 | 360.04 | 382.45 | 461.7 | 355.89 | 438.74 |
27 | 1-hydroxy-2-butanone | 39.22 | 111.06 | 41.37 | 43.91 | 0 | 16.7 | 0 | 76.4 | 82.88 | 62.58 | 0 | 24.26 | 56.34 | 46.29 | 63.27 | 56.43 | 0 | 0 |
28 | 1-acetoxy-2-propanone | 118.22 | 230.25 | 187.71 | 168.77 | 0 | 66.52 | 218.3 | 159.99 | 115.45 | 245.41 | 139.08 | 235.11 | 176.14 | 191.49 | 132.61 | 177.62 | 125.3 | 131.45 |
29 | 2(5H)-furanone | 475.08 | 581.86 | 479.55 | 0 | 0 | 145.49 | 394.39 | 265.72 | 286.88 | 221.84 | 203.23 | 363.54 | 0 | 232.91 | 712.75 | 266.08 | 0 | 154.22 |
30 | 3-methyl-1,2-cyclopentanedione | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 361.67 |
31 | 2-hydroxy-3-methyl-2-cyclopenten-1-one | 468.6 | 482.48 | 707.42 | 283.22 | 182.61 | 588.56 | 879.99 | 726.67 | 745.18 | 519.02 | 186.46 | 476.39 | 681.71 | 637.34 | 716.33 | 684.63 | 248.07 | 0 |
32 | 2(3H)-furanone | 974.6 | 721.47 | 1069.93 | 351.84 | 292.08 | 470.52 | 631.95 | 615.99 | 655.84 | 705.84 | 496.09 | 977.5 | 560.98 | 596.89 | 1123.58 | 1324.65 | 397.11 | 323.38 |
33 | 2,5-dimethyl-4-hydroxy-3(2H)-furanone | 271.76 | 326.77 | 454.38 | 230.03 | 123.31 | 731.6 | 2168.59 | 1158.64 | 298.58 | 471.8 | 69.64 | 144.05 | 415.29 | 861.94 | 625.51 | 529.53 | 0 | 141.69 |
34 | 4-hydroxy-5-methyl-3-(2H)-furanone | 0 | 0 | 0 | 181.54 | 0 | 19.69 | 612.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 99.22 |
35 | 4-hydroxyacetophenone | 1461.87 | 1892.62 | 1469.22 | 0 | 0 | 0 | 1546.24 | 0 | 0 | 0 | 0 | 0 | 0 | 1656.02 | 2234.53 | 1370.88 | 1132.23 | 0 |
36 | 2,5-dimethylpyrazine | 924.49 | 1938.05 | 111.73 | 963.3 | 201.81 | 1827.76 | 1343.97 | 989.09 | 1309.65 | 1748.65 | 88.92 | 70.87 | 1114.25 | 703.42 | 419.79 | 430.64 | 375.15 | 93.56 |
37 | 2,6-dimethylpyrazine | 682.76 | 1035.34 | 144.76 | 983.96 | 72.49 | 1094.56 | 1444.15 | 1045.87 | 800 | 946.87 | 68.92 | 85.72 | 693.95 | 273.74 | 230.77 | 289.35 | 139.77 | 208.04 |
38 | 2,3,5-trimethylpyrazine | 0 | 0 | 0 | 180.76 | 35.78 | 306.68 | 249.04 | 250.84 | 40.86 | 0 | 46.57 | 0 | 0 | 125.18 | 0 | 0 | 0 | 33.86 |
39 | 2,5-dimethyl-3-ethylpyrazine | 151.21 | 315.82 | 0 | 157.83 | 0 | 338.49 | 0 | 0 | 0 | 0 | 0 | 0 | 109.14 | 201.75 | 138.27 | 119 | 0 | 0 |
40 | 2,6-dimethyl-3-ethylpyrazine | 0 | 0 | 0 | 0 | 79.78 | 186.16 | 412.18 | 272.34 | 203.53 | 286.15 | 0 | 0 | 0 | 0 | 0 | 0 | 82.88 | 0 |
41 | 2-acetyl-5-methylpyrazine | 0 | 0 | 0 | 156.34 | 0 | 218.85 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
42 | 2-acetyl-6-methylpyrazine | 251.42 | 419.45 | 0 | 141.33 | 0 | 245.73 | 183.55 | 144.23 | 121.93 | 218.58 | 0 | 0 | 0 | 408.61 | 0 | 113.67 | 96.94 | 0 |
43 | 2-acetylfuran | 0 | 0 | 0 | 0 | 0 | 5.27 | 0 | 231.24 | 103.74 | 0 | 37.99 | 72.73 | 0 | 0 | 0 | 0 | 0 | 54.65 |
44 | phenylethylene | 651.29 | 613.81 | 573.68 | 451.99 | 160.07 | 457.61 | 546.32 | 469.44 | 511.72 | 984.77 | 984.42 | 1025.24 | 500.79 | 459.13 | 564.51 | 601.32 | 471.01 | 162.2 |
Cosine of included angle | 0.9879 | 0.9888 | 0.8855 | 0.9800 | 0.9750 | 0.9643 | 0.9031 | 0.9463 | 0.9152 | 0.9527 | 0.9776 | 0.9671 | 0.9439 | 0.8155 | 0.9815 | 0.9839 | 0.9822 | 0.9189 | |
Similarity | 0.9850 | 0.9859 | 0.8562 | 0.9752 | 0.9781 | 0.9553 | 0.8824 | 0.9373 | 0.8980 | 0.9445 | 0.9762 | 0.9664 | 0.9300 | 0.7655 | 0.9773 | 0.9799 | 0.9787 | 0.9138 |
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Chen, E.; Zhao, S.; Song, H.; Zhang, Y.; Lu, W. Analysis and Comparison of Aroma Compounds of Brown Sugar in Guangdong, Guangxi and Yunnan Using GC-O-MS. Molecules 2022, 27, 5878. https://doi.org/10.3390/molecules27185878
Chen E, Zhao S, Song H, Zhang Y, Lu W. Analysis and Comparison of Aroma Compounds of Brown Sugar in Guangdong, Guangxi and Yunnan Using GC-O-MS. Molecules. 2022; 27(18):5878. https://doi.org/10.3390/molecules27185878
Chicago/Turabian StyleChen, Erbao, Shuna Zhao, Huanlu Song, Yu Zhang, and Wanyao Lu. 2022. "Analysis and Comparison of Aroma Compounds of Brown Sugar in Guangdong, Guangxi and Yunnan Using GC-O-MS" Molecules 27, no. 18: 5878. https://doi.org/10.3390/molecules27185878