| Sample name | Retention time (min) | Peak area | Amount (%) | Name | CAS |
| PBC sample | 3.807 | 5961138 | 0.34% | 1-Aziridineethanamine | 4025-37-0 | 4.192 | 10198552 | 0.58% | Ethanol | 64-17-5 | 5.691 | 644437 | 0.04% | Ethyl acetate | 141-78-6 | 7.292 | 774142 | 0.04% | Acetic acid,2-chloro-,2-butoxyethyl ester | 5330-17-6 | 8.757 | 16697788 | 0.94% | Pentanol | 71-41-0 | 9.42 | 115737442 | 6.53% | Hexal | 66-25-1 | 10.719 | 88414433 | 4.99% | Hexanol | 111-27-3 | 11.092 | 9549061 | 0.54% | Methyl thiobutyrate | 2432-51-1 | 12.603 | 12095254 | 0.68% | 2-Pentylfuran | 3777-69-3 | 13.118 | 2057044 | 0.12% | Isopinocarveol | 6712-79-4 | 13.995 | 239728725 | 13.52% | Sorbic acid | 110-44-1 | 14.059 | 128274888 | 7.25% | Sorbic acid | 110-44-1 | 14.991 | 1028080 | 0.06% | 3-Ethyl-5-(2-ethylbutyl)octade | 55282-12-7 | 15.115 | 68296970 | 3.85% | Ethyl maltol | 4940-11-8 | 16.309 | 1053613522 | 59.44% | 1,3-Diacetin | 25395-31-7 | 16.802 | 901136 | 0.05% | Ethyl caprate | 110-38-3 | 16.909 | 3342922 | 0.19% | 2-(5-Methylthiazol-4-yl)ethyl acetate | 94021-41-7 | 17.716 | 723764 | 0.04% | 6-Methyloctadecane | 10544-96-4 | 17.822 | 10591019 | 0.60% | 5-Decanolide | 705-86-2 | 18.446 | 860421 | 0.05% | Ethyl laurate | 106-33-2 | 19.485 | 1287437 | 0.07% | Delta-Dodecalactone | 713-95-1 |
| Fermented PBC sample | 4.194 | 32719041 | 0.82% | Ethanol | 64-17-5 | 7.225 | 27042781 | 0.68% | 2,3-Pentanedione | 600-14-6 | 7.507 | 22391612 | 0.56% | 3-Hydroxy-2-butanone | 513-86-0 | 8.188 | 1791598 | 0.04% | Propylene glycol | 57-55-6 | 8.758 | 11915371 | 0.30% | 1-Pentanol | 71-41-0 | 9.419 | 63172305 | 1.59% | Hexanal | 66-25-1 | 10.724 | 132330655 | 3.32% | Hexanol | 111-27-3 | 11.091 | 11376413 | 0.29% | Methyl thiobutyrate | 2432-51-1 | 11.179 | 1256141 | 0.03% | Styrene | 100-42-5 | 11.279 | 951472 | 0.02% | Heptaldehyde | 111-71-7 | 11.851 | 686225 | 0.02% | N-[4-(Trimethylsiloxy)benzoyl]glycine methyl ester | 55638-48-7 | 12.148 | 679961 | 0.02% | Pentanol, 4-methyl-4-nitro- | | 12.301 | 3014145 | 0.08% | Benzaldehyde | 100-52-7 | 12.448 | 15123154 | 0.38% | Trisiloxane, 3-butoxy-1,1,1,5,5,5-hexamethyl-3-[(trimethylsilyl)oxy]- (9CI) | 87867-97-8 | 12.604 | 11920805 | 0.30% | 2-Pentylfuran | 3777-69-3 | 12.759 | 1050613 | 0.03% | Octanal | 124-13-0 | 12.828 | 740083 | 0.02% | 3-Trifluoroacetoxypentadecane | | 13.077 | 478871 | 0.01% | 2-Ethyl-1-hexanethiol | 7341-17-5 | 13.118 | 1507526 | 0.04% | (Endo,endo)-9-oxabicyclo[4.2.1]nonane-2,5-diol | 19740-86-4 | 13.182 | 281802 | 0.01% | Neodihydrocarveol | 18675-33-7 | 13.249 | 1378026 | 0.03% | 1-Cyclopentene-1-methanol, 5-methyl- | 88125-84-2 | 13.471 | 950585 | 0.02% | 3-Trifluoroacetoxypentadecane | — | 13.586 | 3608612 | 0.09% | Decyl alcohol | 112-30-1 | 13.994 | 279864340 | 7.02% | Sorbic acid | 110-44-1 | 14.174 | 647726573 | 16.26% | Sorbic acid | 110-44-1 | 14.378 | 984957864 | 24.72% | Sorbic acid | 110-44-1 | 15.148 | 152224848 | 3.82% | Ethyl maltol | 4940-11-8 | 16.33 | 1542296203 | 38.71% | 1,3-Diacetin | 25395-31-7 | 16.808 | 4118106 | 0.10% | Ethyl caprate | 110-38-3 | 16.921 | 5597880 | 0.14% | 2-(5-Methylthiazol-4-yl)ethyl acetate | 94021-41-7 | 17.825 | 17555751 | 0.44% | δ-Decalactone | 705-86-2 | 18.447 | 1427782 | 0.04% | Ethyl laurate | 106-33-2 |
| Cheese sample | 4.196 | 11284463 | 2.04% | Lactamide | 2043-43-8 | 4.394 | 3288538 | 0.60% | Acetone | 67-64-1 | 5.32 | 37875478 | 6.86% | 2,3-Butanedione | 431-03-8 | 5.415 | 30840226 | 5.59% | 2,3-Butanedione | 431-03-8 | 7.044 | 1148257 | 0.21% | 2-Pentanone | 107-87-9 | 7.277 | 2411989 | 0.44% | Isovaleraldehyde | 590-86-3 | 7.52 | 175889878 | 31.87% | Acetoin | 513-86-0 | 8.193 | 6888628 | 1.25% | (R)-(-)-1,2-Propanediol | 4254-14-2 | 8.788 | 5308107 | 0.96% | 1-Phenyl-2-propanol | 698-87-3 | 9.365 | 3863940 | 0.70% | Butyric acid | 107-92-6 | 9.43 | 1852082 | 0.34% | Hexanal | 66-25-1 | 11.059 | 40581877 | 7.35% | 2-Heptanone | 110-43-0 | 12.595 | 70682574 | 12.81% | Caproic acid | 142-62-1 | 13.698 | 29967968 | 5.43% | Sorbic acid | 110-44-1 | 13.824 | 8840254 | 1.60% | 2-Nonanone | 821-55-6 | 13.993 | 2341905 | 0.42% | Nonanal | 124-19-6 | 14.727 | 43124271 | 7.81% | Caprylic acid | 124-07-2 | 15.126 | 1193163 | 0.22% | Naphthalene | 91-20-3 | 15.729 | 8315403 | 1.51% | p-Anisaldehyde | 123-11-5 | 16.235 | 4374660 | 0.79% | 1,3-Diacetin | 25395-31-7 | 16.523 | 3513042 | 0.64% | Decanoic acid | 334-48-5 | 16.734 | 732903 | 0.13% | 1-Fluoro-1-hex-1-ynyl-2,2-dimethyl-cyclopropane | — | 16.801 | 679298 | 0.12% | Ethyl caprate | 110-38-3 | 16.868 | 481995 | 0.09% | Behenyl behenate | 17671-27-1 | 17.03 | 48709273 | 8.83% | vanillin | 121-33-5 | 17.715 | 892420 | 0.16% | 2,6,10-trimethyltetradecane | 14905-56-7 | 17.818 | 4719465 | 0.86% | 5-Decanolide | 705-86-2 | 19.484 | 549268 | 0.10% | 10-Methylundecan-5-olide | — | 19.886 | 247141 | 0.04% | 3-Trifluoroacetoxydodecane | — |
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