Table 2.
Details of 27 differential metabolites identified by HS-GC-MS among the H, M, and S treatments.
| Metabolite | Quant mass | Formula | Retention time | RSD | Score | CAS ID | H | M | S |
|---|---|---|---|---|---|---|---|---|---|
| 3-methylcyclopentene | 67 | C6H10 | 1.569 | 0.070507784 | 84.7829959 | 1120-62-3 | 4.17 ± 0.02 | 4.79 ±0.02 | 4.72 ± 0.04 |
| 2-methylpropanal | 72 | C4H8O | 1.625 | 0.068787109 | 96.96030378 | 78-84-2 | 6.46 ±0.02 | 6.27 ± 0.02 | 6.35 ± 0.03 |
| Acetohydrazide | 74 | C2H6N2O | 1.694 | 0.0762885 | 95.19998129 | 7467-32-5 | 6.01 ± 0.02 | 5.86 ± 0.04 | 6.09 ±0.03 |
| Butan-2-one | 72.1 | C4H8O | 1.933 | 0.07628602 | 84.38764977 | 78-93-3 | 4.63 ± 0.02 | 4.67 ± 0.09 | 4.87 ±0.05 |
| 2-ethoxyacetic acid | 60 | C4H8O3 | 2.049 | 0.058061107 | 63.28450641 | 627-03-2 | 3.64 ±0.04 | 3.42 ± 0.03 | 3.56 ± 0.03 |
| 2-methylbutanal (79) | 57 | C5H10O | 2.211 | 0.074138387 | 97.24812074 | 57456-98-1;96-17-3 | 6.58 ±0.02 | 6.28 ± 0.04 | 6.33 ± 0.05 |
| 2-ethyl-5-methylfuran | 95 | C7H10O | 3.597 | 0.130583098 | 50.40601524 | 1703-52-2 | 4.05 ± 0.03 | 4.49 ±0.14 | 4.16 ± 0.04 |
| Terpinolene (80) | 93 | C10H16 | 4.036 | 0.082818836 | 53.3918106 | 586-62-9 | 4.02 ±0.04 | 3.75 ± 0.1 | 3.88 ± 0.06 |
| Hexanal (81) | 56 | C6H12O | 4.418 | 0.0853182 | 92.3798746 | 66-25-1 | 4.94 ± 0.03 | 5.17 ±0.09 | 5.14 ± 0.07 |
| (3E)-4,8-dimethylnona-1,3,7-triene | 69 | C11H18 | 8.618 | 0.060793879 | 73.47215285 | 19945-61-0 | 4.91 ±0.03 | 4.15 ± 0.24 | 4.68 ± 0.04 |
| 2-Methylpyrazine | 94 | C5H6N2 | 8.877 | 0.057517825 | 95.00709536 | 109-08-0 | 5.92 ±0.03 | 5.59 ± 0.02 | 5.67 ± 0.02 |
| 2,3-Pentanedione | 57 | C5H8O2 | 9.369 | 0.015632225 | 57.40072131 | 600-14-6 | 3.99 ± 0.06 | 4.18 ±0.05 | 3.99 ± 0.06 |
| 2-methylpentanoic acid | 98.9 | C6H12O2 | 9.709 | 0.063366089 | 83.01372596 | 22160-39-0;97-61-0 | 4.27 ± 0.03 | 4.21 ± 0.49 | 4.65 ±0.04 |
| 2,5-dimethylpyrazine (82) | 108 | C6H8N2 | 10.203 | 0.071420374 | 59.35896515 | 123-32-0 | 5.14 ±0.04 | 4.84 ± 0.07 | 4.82 ± 0.05 |
| 2-ethylpyrazine (83) | 108 | C6H8N2 | 10.356 | 0.058623043 | 92.05534271 | 13925-00-3 | 5.4 ±0.04 | 5 ± 0.06 | 5.08 ± 0.05 |
| Oct-1-en-3-ol | 57.2 | C8H16O | 13.278 | 0.076718503 | 76.40710428 | - | 5.44 ±0.02 | 5.13 ± 0.1 | 4.85 ± 0.05 |
| 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde | 107.1 | C10H14O | 16.439 | 0.071249392 | 92.88423312 | 116-26-7 | 4.92 ± 0.03 | 5.12 ± 0.07 | 5.12 ±0.04 |
| 3-methylbutanoic acid | 60 | C5H10O2 | 17.024 | 0.062274418 | 85.17913453 | 503-74-2 | 6.02 ± 0.03 | 6.09 ±0.03 | 5.88 ± 0.04 |
| 2-methylbutanoic acid | 74 | C5H10O2 | 17.028 | 0.069051142 | 81.26700239 | 116-53-0 | 5.42 ± 0.03 | 5.61 ±0.03 | 5.43 ± 0.04 |
| 2,6,6-trimethylcyclohex-2-ene-1,4-dione | 96.1 | C9H12O2 | 17.081 | 0.059543144 | 75.47973568 | 1125-21-9 | 4.22 ± 0.04 | 4.47 ±0.04 | 4.46 ± 0.05 |
| Pyrazine-2-carboxamide | 80 | C5H5N3O | 17.461 | 0.052748754 | 59.91665839 | 98-96-4 | 4.58 ± 0.03 | 4.5 ± 0.03 | 4.64 ±0.05 |
| Valeric acid (84) | 60.1 | C5H10O2 | 18.642 | 0.058225562 | 91.46195141 | 109-52-4 | 5.18 ± 0.05 | 5.42 ±0.04 | 5.31 ± 0.05 |
| 2-phenylethanol (85) | 91 | C8H10O | 19.141 | 0.055682023 | 93.71279349 | 1960/12/8 | 5.27 ±0.03 | 5.2 ± 0.04 | 5.09 ± 0.06 |
| 2-butyloctan-1-ol | 57 | C12H26O | 19.318 | 0.059641269 | 72.8249512 | 3913/2/8 | 3.51 ± 0.08 | 4.13 ±0.16 | 4.07 ± 0.06 |
| Hexadecanoic acid | 74 | C16H32O2 | 21.219 | 0.058917775 | 82.23031131 | 1957/10/3 | 4.39 ± 0.04 | 4.33 ± 0.05 | 4.76 ±0.06 |
| Diisobutyl phthalate | 148.9 | C16H22O4 | 23.142 | 0.063856537 | 89.91536639 | 84-69-5 | 4.61 ±0.1 | 4.13 ± 0.06 | 4.26 ± 0.04 |
| Palmitic acid (86) | 73.1 | C16H32O2 | 26.354 | 0.098671895 | 87.30590317 | 1957/10/3 | 5.28 ± 0.05 | 5.05 ± 0.08 | 5.71 ±0.04 |
The bold values indicated the highest abundance.