GC peak | Compound name | RTa (min) | m/z | Inhibitor concentrationb (mg L−1) | ||||
---|---|---|---|---|---|---|---|---|
Untreated | Overliming | 5.0% AC | Overliming + 2.5% AC | Overliming + 5.0% AC | ||||
 | Furan derivatives |  |  | 4444.3 | 1078.6 | 995.1 | 897.3 | 408.7 |
1* | Furfural | 4.089 | 96 | 3360.9 | 736.8 | 721.8 | 789.3 | 378.4 |
2* | 2-Acetylfuran | 5.706 | 110 | 3.3 | 0.9 | 0.9 | 0.9 | 0.8 |
5* | 5-Methylfurfural | 6.794 | 110 | 156.3 | 27.5 | 16.8 | 25.3 | 1.9 |
7* | Cyclotene | 7.965 | 112 | 3.8 | 1.0 | 1.7 | 0.7 | NA |
8** | 2,5-Furandicarboxyaldehyde | 9.063 | 124 | 148.8c | 29.9c | 53.6c | 11.6c | 7.1c |
9** | 2-Furyl hydroxymethyl ketone | 9.15 | 126 | 88.4c | 59.5c | 20.3c | 34.1c | 5.9c |
10* | 5-Ethylfuran-2-carbaldehyde | 9.226 | 124 | 57.3 | 6.2 | 17.6 | 4.4 | 3.1 |
12* | Hydroxymethylfurfural | 12.199 | 126 | 625.5 | 216.8 | 162.4 | 31.0 | 11.6 |
 | Aliphatic derivatives |  |  | 26.8 | 11.2 | 22.3 | 7.2 | 5.2 |
3* | 2,5-Hexanedione | 6.094 | 114 | 24.9 | 10.4 | 20.5 | 7.2 | 5.2 |
4** | 3-Hexen-2-one | 6.286 | 98 | 1.9d | 0.8d | 1.9d | NA | NA |
 | Aromatic monomers |  |  | 1198.8 | 383.5 | 17.0 | 48.2 | 4.5 |
6* | Phenol | 7.109 | 94 | 68.2 | 16.7 | 5.3 | 5.1 | 2.7 |
11* | Benzoic acid | 11.007 | 122 | 74.9 | 3.8 | 4.7 | 0.4 | NA |
13* | 3′-Methoxyacetophenone | 13.211 | 150 | 5.6 | 2.1 | NA | 0.8 | NA |
14* | 3,4,5-Trihydroxybenzaldehyde | 13.74 | 154 | 6.4 | 1.7 | 0.4 | 0.2 | NA |
15* | Vanillin | 14.458 | 152 | 72.8 | 25.8 | NA | NA | NA |
16*** | Homovanillin | 15.263 | 166 | 17.0e | 1.9e | NA | NA | NA |
17* | Acetovanillone | 15.636 | 166 | 10.3 | 9.2 | NA | 0.1 | NA |
18* | Guaiacylacetone | 16.188 | 180 | 205.5 | 73.5 | 2.0 | 12.8 | 0.9 |
19** | 1-(4-Hydroxy-3-methoxyphenyl)propane-1,2-dione | 16.942 | 194 | 121.0e | 20.3e | 2.1e | 4.9e | 0.2e |
20*** | 1-(3,4,5-Trihydroxyphenyl)propane-1,2-dione | 17.522 | 196 | 23.1e | 9.8e | 0.2e | 1.0e | NA |
21* | Syringaldehyde | 17.826 | 182 | 110.0 | 36.3 | 0.3 | 1.7 | NA |
22*** | Hydroxypropiovanillone | 18.189 | 196 | 83.4e | 41.2e | 0.7e | 3.5e | NA |
23** | Homosyringaldehyde | 18.29 | 196 | 9.7f | 0.9f | NA | 0.1f | NA |
24** | 1-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-one | 18.617 | 196 | 0.7e | NA | NA | NA | NA |
25* | Acetosyringone | 18.653 | 196 | 57.8 | 27.0 | NA | 0.2 | NA |
26* | Syringylacetone | 19.055 | 210 | 88.5 | 29.7 | 0.3 | 9.5 | 0.7 |
27* | 1-(4-Hydroxy-3-methoxyphenyl)-2-butanone | 19.142 | 194 | 11.3e | 2.1e | NA | NA | NA |
28*** | 1-(4-Hydroxy-3,5-dimethoxyphenyl)propane-1,2-dione | 19.672 | 224 | 104.8f | 15.4f | 0.8f | 5.7f | NA |
29*** | 1-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-propanone | 20.179 | 226 | 6.7f | 4.4f | 0.2f | 0.3f | NA |
30*** | 2-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one | 20.701 | 226 | 37.5f | 29.2f | NA | 1.5f | NA |
31*** | 2-Hydroxy-1-syringyl-ethanone | 21.14 | 226 | 59.7f | 23.7f | NA | 0.4f | NA |
32*** | 1-(3,4,5-Trimethoxyphenyl)-1,2-propanedione | 21.517 | 238 | 4.9f | 2.8f | NA | NA | NA |
33*** | (4-Hydroxy-3,5-dimethoxybenzoyl)-acetaldehyde | 21.822 | 224 | 9.5f | 0.4f | NA | NA | NA |
35*** | 1-(4-Hydroxy-3,5-dimethoxyphenyl)pentane-1,2-dione | 23.388 | 252 | 9.5f | 5.4f | NA | NA | NA |
 | Aromatic dimers |  |  | 45.9 | 14.2 | NA | NA | NA |
34*** | Gentisein | 22.333 | 244 | 5.6f | 4.0f | NA | NA | NA |
36*** | 2-(4-Hydroxy-3-methoxyphenyl)-1-(3,5-dihydroxyphenyl)ethanone | 24.465 | 274 | 2.4f | 1.9f | NA | NA | NA |
37*** | 4-Hydroxyphenyl 3,4,5-trimethoxybenzoate | 26.633 | 304 | 4.8f | 2.1f | NA | NA | NA |
38*** | 1,2-Bis(4-Hydroxy-3-methoxyphenyl)ethanone | 27.666 | 288 | 5.3f | 2.6f | NA | NA | NA |
39*** | 1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)ethanon | 29.714 | 318 | 4.5f | 1.1f | NA | NA | NA |
40*** | 2-(4-Hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)ethanone | 29.725 | 318 | 2.2f | 0.6f | NA | NA | NA |
41*** | 2-Syringylacetosyringone | 30.345 | 362 | 2.0f | 0.2f | NA | NA | NA |
42*** | Vanillosyringil | 30.748 | 332 | 1.8f | 0.2f | NA | NA | NA |
43*** | 1,2-bis(4-Hydroxy-3,5-dimethoxyphenyl)ethanone | 31.397 | 348 | 8.4f | 0.6f | NA | NA | NA |
44*** | Syringil | 32.299 | 362 | 1.7f | NA | NA | NA | NA |
45*** | 1-(4-Acetyl-3,5-dimethoxyphenyl)-2-(4-hydroxy-3,5-dimethoxyphenyl)ethane-1,2-dione | 34.138 | 388 | 2.3f | 0.9f | NA | NA | NA |
46*** | Phenol, 4,4′-(1,2-ethanediyl)bis[2,6-dimethoxy-,diacetate | 36.744 | 418 | 4.9f | NA | NA | NA | NA |