| | No. | Compound | Cas | Formula | Molecular weight | RI | Rt [sec] | Dt [RIPrel] | Identification approach |
| | 1 | Benzyl alcohol (monomer) | 100-51-6 | C7H8O | 108 | 1090 | 758.55 | 1.21 | RI, DT, Std | | 2 | Unknown (monomer) | — | — | — | 987 | 568.62 | 1.17 | RI, DT | | 3 | Hexanoic acid (monomer) | 142-62-1 | C6H12O2 | 116 | 989 | 573.49 | 1.30 | RI, DT, Std | | 4 | Cyclohexanone (monomer) | 108-94-1 | C6H10O | 98 | 904 | 410.86 | 1.15 | RI, DT, Std | | 4′ | Cyclohexanone (dimer) | 108-94-1 | C6H10O | 98 | 904 | 402.28 | 1.45 | RI, DT, Std | | 5 | Hexanal (monomer) | 66-25-1 | C6H12O | 100 | 796 | 269.29 | 1.56 | RI, DT, Std | | 6 | Unknown (monomer) | — | — | — | 768 | 242.96 | 1.11 | RI, DT | | 7 | 2,4-Heptadienal (monomer) | 5910-85-0 | C7H10O | 110 | 1427 | 242.38 | 1.41 | RI, DT, Std | | 8 | 2-Nonenal (monomer) | 2463-53-8 | C9H16O | 140 | 687 | 181.34 | 1.07 | RI, DT, Std | | 9 | 3-Buten-2-one (monomer) | 79-77-6 | C13H20O | 192 | 1914 | 179.98 | 1.30 | RI, DT, Std | | 10 | Acetone (monomer) | 67-64-1 | C3H6O | 58 | 814 | 110.75 | 1.11 | RI, DT, Std | | 11 | Styrene (monomer) | 100-42-5 | C8H8 | 104 | 602 | 140.40 | 1.05 | RI, DT, Std | | 12 | Unknown (monomer) | — | — | — | 596 | 137.86 | 1.32 | RI, DT | | 13 | E-2-heptenal (monomer) | 18829-55-5 | C7H12O | 112 | 570 | 127.33 | 1.04 | RI, DT, Std | | 14 | Unknown (monomer) | — | — | — | 629 | 152.29 | 1.16 | RI, DT | | 15 | Unknown (monomer) | — | — | — | 739 | 218.98 | 1.22 | RI, DT | | 16 | 1-Octen-3-ol (monomer) | 3391-86-4 | C8H16O | 128 | 1349 | 226.98 | 1.15 | RI, DT, Std | | 17 | Unknown (monomer) | — | — | — | 1042 | 664.75 | 1.14 | RI, DT | | 18 | Limonene (monomer) | 138-86-3 | C10H16 | 136 | 1032 | 647.98 | 1.21 | RI, DT, Std | | 18′ | Limonene (dimer) | 138-86-3 | C10H17 | 136 | 1032 | 647.00 | 1.30 | RI, DT, Std | | 19 | Ethyl hexanoate (monomer) | 123-66-0 | C8H16O2 | 144 | 1405 | 600.99 | 1.39 | RI, DT, Std | | 20 | Unknown (monomer) | — | — | — | 961 | 513.04 | 1.15 | RI, DT | | 20′ | Unknown (dimer) | — | — | — | 958 | 507.19 | 1.47 | RI, DT | | 21 | Unknown (monomer) | — | — | — | 924 | 443.23 | 1.28 | RI, DT | | 21′ | Unknown (dimer) | — | — | — | 922 | 440.50 | 1.67 | RI, DT | | 22 | Unknown (monomer) | — | — | — | 786 | 259.34 | 1.09 | RI, DT | | 23 | Nonanoic acid (monomer) | 112-05-0 | C9H18O2 | 158 | 2083 | 256.62 | 1.36 | RI, DT, Std | | 24 | Butanoic acid (monomer) | 107-92-6 | C4H8O2 | 88 | 1538 | 218.01 | 1.12 | RI, DT, Std | | 25 | Unknown (monomer) | — | — | — | 737 | 217.42 | 1.43 | RI, DT | | 26 | Unknown (monomer) | — | — | — | 654 | 164.18 | 1.17 | RI, DT | | 26′ | Unknown (dimer) | — | — | — | 655 | 164.97 | 1.40 | RI, DT | | 27 | 2-Heptenal (monomer) | 2463-63-0 | C7H12O | 112 | 663 | 169.06 | 1.15 | RI, DT, Std | | 28 | 2-Formyltoluene (monomer) | 529-20-4 | C8H8O | 120 | 1555 | 121.67 | 1.19 | RI, DT, Std | | 29 | 1-Penten-3-ol (monomer) | 616-25-1 | C5H10O | 86 | 1134 | 122.26 | 1.03 | RI, DT, Std | | 30 | 2-Formylphenol (monomer) | 90-02-8 | C7H6O2 | 122 | 1542 | 116.99 | 1.22 | RI, DT, Std | | 31 | Unknown (monomer) | — | — | — | 740 | 219.37 | 1.40 | RI, DT | | 32 | Unknown (monomer) | — | — | — | 780 | 254.27 | 1.16 | RI, DT | | 33 | Unknown (monomer) | — | — | — | 721 | 205.33 | 1.14 | RI, DT | | 34 | (E)-4-Undecenal (monomer) | 68820-35-9 | C11H20O | 168 | 2719 | 203.77 | 1.43 | RI, DT, Std | | 35 | 3-Hexenoic acid, (E)-(monomer) | 1577-18-0 | C6H10O2 | 114 | 1876 | 730.66 | 1.19 | RI, DT, Std | | 36 | Methyl laurate (monomer) | 111-82-0 | C13H26O2 | 214 | 1765 | 709.01 | 1.21 | RI, DT, Std | | 37 | 2-Pentylfuran (monomer) | 3777-69-3 | C9H14O | 138 | 1218 | 317.26 | 1.21 | RI, DT, Std | | 38 | Unknown (monomer) | — | — | — | 503 | 104.13 | 1.04 | RI, DT | | 39 | 6-Methyl-5-hepten-2-one | 110-93-0 | C8H14O | 126 | 1335 | 652.47 | 1.26 | RI, DT, Std | | 40 | Unknown (monomer) | — | — | — | 953 | 498.41 | 1.66 | RI, DT | | 41 | Unknown (monomer) | — | — | — | 699 | 189.54 | 1.39 | RI, DT | | 42′ | Unknown (dimer) | — | — | — | 699 | 189.54 | 1.42 | RI, DT | | 43 | Methyl decanoate (monomer) | 110-42-9 | C11H22O2 | 186 | 1613 | 185.05 | 1.33 | RI, DT, Std | | 44 | 2-Hexanone (monomer) | 591-78-6 | C6H12O | 100 | 1087 | 260.91 | 1.18 | RI, DT,Std | | 45 | Unknown (monomer) | — | — | — | 954 | 499.97 | 1.56 | RI, DT | | 46 | Heptanal (monomer) | 111-71-7 | C7H14O | 114 | 1280 | 373.42 | 1.32 | RI, DT, Std | | 47 | Methyl myristoleate (monomer) | 56219-06-8 | C15H28O2 | 240 | 670 | 172.37 | 1.08 | RI, DT, Std | | 48 | 2-Decenal (monomer) | 3913-71-1 | C10H18O | 154 | 1638 | 171.40 | 1.36 | RI, DT, Std | | 49 | Unknown (monomer) | — | — | — | 1062 | 702.38 | 1.33 | RI, DT | | 49′ | Unknown (dimer) | — | — | — | 1061 | 701.22 | 1.81 | RI, DT | | 50 | Unknown (monomer) | — | — | — | 988 | 571.74 | 1.25 | RI, DT | | 51 | Linalool (monomer) | 78-70-6 | C10H18O | 154 | 981 | 556.52 | 1.42 | RI, DT, Std | | 52 | Phenol, 2-nitro-(monomer) | 88-75-5 | C6H5NO3 | 139 | 1810 | 359.18 | 1.57 | RI, DT, Std | | 53 | E-2-Hexen-1-ol (monomer) | 928-95-0 | C6H12O | 100 | 1361 | 346.71 | 1.18 | RI, DT, Std | | 53′ | E-2-Hexen-1-ol (dimer) | 928-95-0 | C6H12O | 100 | 1361 | 344.37 | 1.51 | RI, DT, Std | | 54 | 2-Methoxyphenol (monomer) | 90-05-1 | C7H8O2 | 124 | 1831 | 309.46 | 1.25 | RI, DT, Std | | 55 | Octanoic acid (monomer) | 124-07-2 | C8H16O2 | 144 | 756 | 232.43 | 1.10 | RI, DT, Std | | 56 | Pentanoic acid (monomer) | 109-52-4 | C5H10O2 | 102 | 754 | 231.26 | 1.35 | RI, DT, Std | | 57 | 3-Pentanone (monomer) | 96-22-0 | C5H10O | 86 | 898 | 188.76 | 1.35 | RI, DT, Std | | 58 | 2-Nitrophenetole (monomer) | 610-67-3 | C8H9NO3 | 167 | 1651 | 162.82 | 1.19 | RI, DT, Std | | 59 | Unknown (monomer) | — | — | 164 | 652 | 163.40 | 1.31 | RI, DT | | 60 | Acetoin (monomer) | 513-86-0 | C4H8O2 | 88 | 1120 | 204.55 | 1.05 | RI, DT, Std | | 61 | Ethyl decanoate (monomer) | 110-38-3 | C12H24O2 | 200 | 682 | 179.01 | 0.94 | RI, DT, Std | | 62 | 2-Hexenal (monomer) | 505-57-7 | C6H10O | 98 | 633 | 154.04 | 1.02 | RI, DT, Std | | 63 | Unknown (monomer) | — | — | — | 525 | 111.14 | 1.17 | RI, DT | | 64 | Butanal (monomer) | 123-72-8 | C4H8O | 72 | 568 | 126.55 | 1.10 | RI, DT, Std | | 64′ | Butanal (dimer) | 123-72-9 | C4H9O | 72 | 864 | 124.99 | 1.28 | RI, DT, Std | | 65 | Unknown (monomer) | — | — | — | 537 | 115.24 | 1.15 | RI, DT |
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