Table 2.
Volatile organic compounds content (μg/kg; −indicates undetectable).
| Type | ID | Retention time(min) | CAS | Compound name | Structural formula | VOC scontent (μg/kg) | |||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| XX | STD | RSD (%) | SL | STD | RSD (%) | YH | STD | RSD (%) | JF | STD | RSD (%) | ||||||
| Alcohols | A1 | 24.89 | 111–27-3 | 1-Hexanol | C6H14O | 112.26 | 1.87 | 1.66 | 72.69 | 5.06 | 6.96 | 193.57 | 4.18 | 2.16 | 71.37 | 1.60 | 2.24 |
| A2 | 26.045 | 111–35-3 | 3-Ethoxy-1-propanol | C5H12O2 | 7.88 | 0.98 | 12.49 | 23.18 | 3.26 | 14.08 | 10.91 | 0.58 | 5.33 | 14.78 | 1.53 | 10.39 | |
| A3 | 29.474 | 3,391-86-4 | 1-Octen-3-ol | C8H16O | 3.99 | 0.63 | 15.76 | – | – | – | – | – | – | – | – | – | |
| A4 | 31.539 | 104–76-7 | 1-Hexanol, 2-ethyl- | C8H18O | 29.28 | 1.31 | 4.47 | 15.58 | 1.38 | 8.83 | 13.16 | 0.88 | 6.70 | 18.86 | 0.55 | 2.94 | |
| A5 | 34.192 | 111–87-5 | 1-Octanol | C8H18O | 46.18 | 0.64 | 1.38 | 25.76 | 1.15 | 4.45 | 57.85 | 1.72 | 2.98 | 22.42 | 1.08 | 4.81 | |
| A6 | 41.666 | 100–51-6 | Benzyl alcohol | C7H8O | 7.02 | 0.78 | 11.16 | – | – | – | 9.37 | 1.25 | 13.38 | – | – | – | |
| A7 | 16.048 | 71–36-3 | 1-Butanol | C4H10O | – | – | – | 15.03 | 2.01 | 13.37 | – | – | – | – | – | – | |
| A8 | 18.563 | 137–32-6 | 1-Butanol, 2-methyl- | C5H12O | – | – | – | 1115.11 | 45.17 | 4.05 | – | – | – | – | – | – | |
| A9 | 37.115 | 98–0-0 | 2-Furanmethanol | C5H6O2 | – | – | – | 46.79 | 6.08 | 13.00 | – | – | – | – | – | – | |
| Aldehydes | B1 | 7.606 | 96–17-3 | Butanal, 2-methyl- | C5H10O | 76.47 | 2.99 | 3.92 | 53.21 | 5.15 | 9.68 | 19.14 | 2.26 | 11.79 | 29.09 | 0.93 | 3.20 |
| B2 | 7.704 | 590–86-3 | Isovaleraldehyde | C5H10O | 155.94 | 2.46 | 1.58 | 109.28 | 6.29 | 5.75 | 48.93 | 2.64 | 5.39 | 73.25 | 2.40 | 3.27 | |
| B4 | 11.305 | 4,170-30-3 | 2-Butenal | C4H6O | 6.27 | 0.67 | 10.61 | 8.18 | 0.42 | 5.08 | 7.80 | 0.34 | 4.42 | 11.16 | 0.17 | 1.54 | |
| B5 | 26.984 | 124–19-6 | 1-Nonanal | C9H18O | 15.06 | 2.22 | 14.73 | – | – | – | – | – | – | – | – | – | |
| B6 | 30.608 | 620–2-0 | 2-Furancarboxaldehyde, 5-methyl- | C6H6O2 | 29.69 | 2.51 | 8.45 | – | – | – | – | – | – | 11.89 | 0.64 | 5.36 | |
| B7 | 33.109 | 100–52-7 | Benzaldehyde | C7H6O | 863.90 | 21.84 | 2.53 | 939.42 | 30.23 | 3.22 | 1004.54 | 76.98 | 7.66 | 1003.06 | 38.58 | 3.85 | |
| B8 | 36.949 | 122–78-1 | Benzeneacetaldehyde | C8H8O | 25.71 | 1.16 | 4.50 | – | – | – | – | – | – | – | – | – | |
| B9 | 40.874 | 15,764–16-6 | Benzaldehyde, 2,4-dimethyl- | C9H10O | 85.62 | 7.63 | 8.91 | 176.81 | 14.46 | 8.18 | 108.08 | 17.17 | 15.89 | 73.84 | 2.22 | 3.01 | |
| B10 | 42.776 | 4,411-89-6 | Benzeneacetaldehyde, alpha-ethylidene- | C10H10O | 24.47 | 2.81 | 11.50 | 33.64 | 4.46 | 13.25 | – | – | – | 13.77 | 1.49 | 10.81 | |
| B11 | 5.906 | 78–84-2 | Propanal, 2-methyl- | C4H8O | – | – | – | 9.16 | 0.54 | 5.87 | – | – | – | 4.81 | 0.46 | 9.48 | |
| B12 | 16.75 | 28,467–88-1 | 2-Hexenal, 2-methyl- | C7H12O | – | – | – | 20.48 | 3.59 | 17.52 | – | – | – | – | – | – | |
| Acids | C1 | 29.254 | 64–19-7 | Acetic acid | C2H4O2 | 445.51 | 13.00 | 2.92 | 711.84 | 107.90 | 15.16 | 695.35 | 58.82 | 8.46 | 616.56 | 22.98 | 3.73 |
| C2 | 34.421 | 79–31-2 | Propanoic acid, 2-methyl- | C4H8O2 | 5.92 | 0.17 | 2.90 | – | – | – | 16.40 | 1.92 | 11.69 | 6.04 | 0.17 | 2.87 | |
| C3 | 36.23 | 107–92-6 | Butanoic acid | C4H8O2 | 46.62 | 2.91 | 6.24 | 57.69 | 6.69 | 11.60 | 54.52 | 2.10 | 3.85 | 42.97 | 1.62 | 3.77 | |
| C4 | 37.354 | 503–74-2 | Butanoic acid, 3-methyl- | C5H10O2 | 59.74 | 3.51 | 5.87 | 54.21 | 5.05 | 9.32 | 74.01 | 1.35 | 1.83 | 38.57 | 1.22 | 3.16 | |
| C5 | 40.97 | 142–62-1 | Hexanoic acid | C6H12O2 | 41.83 | 6.72 | 16.06 | 40.74 | 6.35 | 15.59 | 76.64 | 11.17 | 14.57 | 13.13 | 1.21 | 9.20 | |
| C6 | 11.462 | 328–50-7 | 2-Oxopentanedioic acid | C5H6O5 | – | – | – | – | – | – | – | – | – | 46.18 | 1.86 | 4.03 | |
| G17 | 36.558 | 591–81-1 | Butanoic acid,4-hydroxy- | C4H8O3 | – | – | – | – | – | – | – | – | – | 17.47 | 2.70 | 15.47 | |
| Ketone | D1 | 19.913 | 19,549–80-5 | 2-Heptanone, 4,6-dimethyl- | C9H18O | 8.02 | 0.75 | 9.36 | 11.25 | 1.06 | 9.42 | 7.93 | 1.21 | 15.28 | 9.13 | 0.32 | 3.53 |
| D2 | 21.866 | 111–13-7 | 2-Octanone | C8H16O | 55.50 | 0.46 | 0.84 | – | – | – | 51.49 | 2.52 | 4.90 | – | – | – | |
| D3 | 22.221 | 108–94-1 | Cyclohexanone | C6H10O | 13.97 | 1.71 | 12.22 | 12.84 | 1.77 | 13.79 | 14.21 | 1.79 | 12.59 | 9.32 | 1.31 | 14.03 | |
| D4 | 37.17 | 98–86-2 | Acetophenone | C8H8O | 11.97 | 0.96 | 8.00 | – | – | – | – | – | – | – | – | – | |
| D5 | 17.997 | 6,137-6-0 | 2-Heptanone, 4-methyl- | C8H16O | – | – | – | 13.55 | 1.06 | 7.84 | 17.24 | 2.73 | 15.85 | 15.29 | 1.52 | 9.93 | |
| D6 | 47.213 | 28,564–83-2 | 4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl- | C6H8O4 | – | – | – | 16.93 | 0.57 | 3.39 | – | – | – | – | – | – | |
| Alkane | E1 | 9.886 | 124–18-5 | Decane | C10H22 | 9.15 | 0.88 | 9.60 | – | – | – | 24.91 | 4.06 | 16.31 | 24.96 | 3.63 | 14.53 |
| E2 | 5.724 | 111–65-9 | Octane | C8H18 | – | – | – | – | – | – | 6.31 | 0.91 | 14.47 | 5.48 | 0.75 | 13.72 | |
| E3 | 5.845 | 2,213-23-2 | Heptane, 2,4-dimethyl- | C9H20 | – | – | – | – | – | – | 9.28 | 1.16 | 12.48 | 8.68 | 0.99 | 11.46 | |
| E4 | 12.973 | 1,120-21-4 | Undecane | C11H24 | – | – | – | – | – | – | 11.18 | 1.83 | 16.35 | 8.55 | 0.59 | 6.85 | |
| Olefin | F1 | 18.453 | 109–67-1 | 1-pentene | C5H10 | – | – | – | 1985.76 | 94.42 | 4.75 | – | – | – | – | – | – |
| Esters | G1 | 8.724 | 105–37-3 | Propanoic acid, ethyl ester | C5H10O2 | 41.19 | 0.54 | 1.31 | 25.19 | 2.79 | 11.06 | 41.33 | 2.83 | 6.84 | 23.35 | 1.98 | 8.47 |
| G2 | 8.958 | 97–62-1 | Propanoic acid, 2-methyl-, ethyl ester | C6H12O2 | 17.97 | 1.15 | 6.38 | 15.08 | 1.79 | 11.89 | 40.10 | 1.01 | 2.52 | 19.99 | 0.99 | 4.97 | |
| G3 | 11.122 | 105–54-4 | Butanoic acid, ethyl ester | C6H12O2 | 130.85 | 2.40 | 1.83 | 136.54 | 17.69 | 12.95 | 143.52 | 10.37 | 7.23 | 156.51 | 7.02 | 4.48 | |
| G4 | 12.237 | 108–64-5 | Butanoic acid, 3-methyl-, ethyl ester | C7H14O2 | 29.50 | 0.31 | 1.04 | 18.77 | 2.49 | 13.26 | 21.86 | 0.47 | 2.16 | 15.48 | 1.23 | 7.97 | |
| G5 | 14.303 | 123–92-2 | 1-Butanol, 3-methyl-, acetate | C7H14O2 | 18.74 | 3.10 | 16.54 | 23.27 | 1.65 | 7.08 | 23.76 | 2.10 | 8.83 | 16.11 | 2.13 | 13.22 | |
| G6 | 14.796 | 539–82-2 | Pentanoic acid, ethyl ester | C7H14O2 | 11.56 | 1.42 | 12.30 | – | – | – | 16.35 | 1.65 | 10.07 | 5.94 | 0.57 | 9.53 | |
| G7 | 19.326 | 123–66-0 | Hexanoic acid, ethyl ester | C8H16O2 | 92.35 | 2.38 | 2.57 | 49.64 | 5.68 | 11.45 | 127.37 | 11.90 | 9.34 | 63.89 | 3.03 | 4.74 | |
| G8 | 28.909 | 106–32-1 | Octanoic acid, ethyl ester | C10H20O2 | 17.33 | 2.09 | 12.08 | 15.08 | 2.22 | 14.71 | 19.41 | 2.77 | 14.27 | 15.98 | 1.67 | 10.45 | |
| G9 | 33.793 | 6,946-90-3 | Ethyl dl-2-hydroxycaproate | C8H16O3 | 182.96 | 1.06 | 0.58 | 165.08 | 12.98 | 7.86 | 80.98 | 6.37 | 7.87 | 106.15 | 7.37 | 6.94 | |
| G10 | 36.592 | 96–48-0 | γ-Butyrolactone | C4H6O2 | 8.56 | 1.00 | 11.70 | 25.75 | 2.54 | 9.87 | 29.05 | 4.19 | 14.44 | – | – | – | |
| G11 | 37.569 | 93–89-0 | Benzoic acid, ethyl ester | C9H10O2 | 19.90 | 1.30 | 6.51 | 18.25 | 2.27 | 12.42 | – | – | – | 19.14 | 2.47 | 12.92 | |
| G12 | 37.7 | 123–25-1 | Butanedioic acid, diethyl ester | C8H14O4 | 488.66 | 3.81 | 0.78 | 956.98 | 142.21 | 14.86 | 464.18 | 49.90 | 10.75 | 699.46 | 49.42 | 7.07 | |
| G13 | 40.173 | 101–97-3 | Benzeneacetic acid, ethyl ester | C10H12O2 | 24.35 | 1.10 | 4.52 | 20.84 | 1.83 | 8.79 | 13.62 | 2.06 | 15.10 | 12.89 | 1.85 | 14.35 | |
| G14 | 32.838 | 5,405-41-4 | Butanoic acid, 3-hydroxy-, ethyl ester | C6H12O3 | – | – | – | 15.55 | 0.58 | 3.75 | 15.46 | 0.94 | 6.08 | – | – | – | |
| G15 | 40.744 | 103–45-7 | Acetic acid, 2-phenylethyl ester | C10H12O2 | – | – | – | – | – | – | 9.44 | 1.18 | 12.47 | – | – | – | |
| G16 | 35.945 | 539–88-8 | Pentanoic acid, 4-oxo-, ethyl ester | C7H12O3 | – | – | – | – | – | – | – | – | – | 9.82 | 1.18 | 12.04 | |
| Others | H1 | 7.132 | 105–57-7 | Ethane, 1,1-diethoxy- | C6H14O2 | 116.98 | 5.15 | 4.40 | 103.80 | 10.00 | 9.63 | 95.10 | 9.15 | 9.62 | 91.51 | 3.16 | 3.45 |
| B3 | 9.289 | 1741-41-9 | Propane, 1,1-diethoxy-2-methyl- | C8H18O2 | 16.10 | 0.41 | 2.54 | 10.22 | 1.24 | 12.10 | – | – | – | – | – | – | |
Compound IDs were retained after correction of the chemical classifications to maintain correspondence with the figures.