Table 2.
Gas chromatography–ion mobility spectrometry global area set integration parameters obtained from the rhubarb samples after different cycles of steaming and sun-drying.
| Count | Compound | CAS# | Formula | MW | RI | Rt [s] | Dt [a.u.] |
|---|---|---|---|---|---|---|---|
| 1 | Dimethyl sulfide | C75183 | C2H6S | 62.1 | 789.3 | 238.388 | 0.964 |
| 2 | Propanal (D) | C123386 | C3H6O | 58.1 | 833.3 | 261.118 | 1.148 |
| 3 | Propanal (M) | C123386 | C3H6O | 58.1 | 834.0 | 261.519 | 1.046 |
| 4 | 2-Methyl propanal (M) | C78842 | C4H8O | 72.1 | 843.4 | 266.672 | 1.099 |
| 5 | 2-Methyl propanal (D) | C78842 | C4H8O | 72.1 | 845.3 | 267.734 | 1.282 |
| 6 | Propan-2-one | C67641 | C3H6O | 58.1 | 847.2 | 268.736 | 1.117 |
| 7 | Methyl acetate | C79209 | C3H6O2 | 74.1 | 859.3 | 275.563 | 1.031 |
| 8 | Tetrahydrofuran (D) | C109999 | C4H8O | 72.1 | 861.4 | 276.755 | 1.231 |
| 9 | Tetrahydrofuran (M) | C109999 | C4H8O | 72.1 | 863.7 | 278.108 | 1.064 |
| 10 | Ethyl acetate (M) | C141786 | C4H8O2 | 88.1 | 900.8 | 300.318 | 1.099 |
| 11 | Ethyl acetate (D) | C141786 | C4H8O2 | 88.1 | 903.2 | 301.799 | 1.342 |
| 12 | Butan-2-one | C78933 | C4H8O | 72.1 | 916.0 | 309.905 | 1.250 |
| 13 | Methanol | C67561 | CH4O | 32.0 | 920.8 | 312.969 | 0.982 |
| 14 | 3-Methyl butanal | C590863 | C5H10O | 86.1 | 930.3 | 319.243 | 1.403 |
| 15 | Ethanol | C64175 | C2H6O | 46.1 | 940.1 | 325.777 | 1.146 |
| 16 | Pentanal | C110623 | C5H10O | 86.1 | 979.2 | 353.205 | 1.430 |
| 17 | 1-Penten-3-one | C1629589 | C5H8O | 84.1 | 1009.6 | 379.249 | 1.323 |
| 18 | 1-Propanol (D) | C71238 | C3H8O | 60.1 | 1050.5 | 423.267 | 1.255 |
| 19 | 1-Propanol (M) | C71238 | C3H8O | 60.1 | 1051.8 | 424.736 | 1.110 |
| 20 | Camphene | C79925 | C10H16 | 136.2 | 1076.7 | 453.960 | 1.218 |
| 21 | Hexanal (M) | C66251 | C6H12O | 100.2 | 1097.2 | 479.693 | 1.257 |
| 22 | Hexanal (D) | C66251 | C6H12O | 100.2 | 1098.7 | 481.988 | 1.567 |
| 23 | 2-Methyl-1-propanol (D) | C78831 | C4H10O | 74.1 | 1102.7 | 488.251 | 1.364 |
| 24 | 2-Methyl-1-propanol (M) | C78831 | C4H10O | 74.1 | 1106.3 | 493.883 | 1.167 |
| 25 | Butan-1-ol (D) | C71363 | C4H10O | 74.1 | 1155.7 | 578.603 | 1.376 |
| 26 | Butan-1-ol (M) | C71363 | C4H10O | 74.1 | 1156.1 | 579.398 | 1.186 |
| 27 | 1-Penten-3-ol | C616251 | C5H10O | 86.1 | 1168.5 | 602.797 | 0.945 |
| 28 | Alpha-terpinene | C99865 | C10H16 | 136.2 | 1173.5 | 612.495 | 1.218 |
| 29 | Ethyl crotonate (D) | C623701 | C6H10O2 | 114.1 | 1177.3 | 620.106 | 1.555 |
| 30 | Ethyl crotonate (M) | C623701 | C6H10O2 | 114.1 | 1178.7 | 622.787 | 1.181 |
| 31 | Heptan-2-one | C110430 | C7H14O | 114.2 | 1186.0 | 637.530 | 1.265 |
| 32 | Cyclopentanone | C120923 | C5H8O | 84.1 | 1191.4 | 648.753 | 1.106 |
| 33 | Heptanal | C111717 | C7H14O | 114.2 | 1193.6 | 651.975 | 1.331 |
| 34 | Limonene (M) | C138863 | C10H16 | 136.2 | 1202.8 | 663.613 | 1.224 |
| 35 | Limonene (D) | C138863 | C10H16 | 136.2 | 1203.1 | 664.031 | 1.294 |
| 36 | 3-Methyl-1-butanol (M) | C123513 | C5H12O | 88.1 | 1216.8 | 681.825 | 1.246 |
| 37 | 3-Methyl-1-butanol (D) | C123513 | C5H12O | 88.1 | 1217.0 | 682.067 | 1.490 |
| 38 | (E)-2-hexenal | C6728263 | C6H10O | 98.1 | 1226.2 | 694.257 | 1.183 |
| 39 | Gamma-terpinene | C99854 | C10H16 | 136.2 | 1250.1 | 727.017 | 1.220 |
| 40 | 1-Pentanol | C71410 | C5H12O | 88.1 | 1259.8 | 740.707 | 1.256 |
| 41 | 2-Methyl tetrahydrofuran-3-one (M) | C3188009 | C5H8O2 | 100.1 | 1274.2 | 761.668 | 1.075 |
| 42 | 2-Methyl tetrahydrofuran-3-one (D) | C3188009 | C5H8O2 | 100.1 | 1274.5 | 762.062 | 1.427 |
| 43 | 3-Hydroxybutan-2-one (M) | C513860 | C4H8O2 | 88.1 | 1295.0 | 792.784 | 1.052 |
| 44 | 3-Hydroxybutan-2-one (D) | C513860 | C4H8O2 | 88.1 | 1296.4 | 794.982 | 1.333 |
| 45 | 1-Hydroxypropan-2-one (M) | C116096 | C3H6O2 | 74.1 | 1308.8 | 814.758 | 1.032 |
| 46 | 1-Hydroxypropan-2-one (D) | C116096 | C3H6O2 | 74.1 | 1310.1 | 816.955 | 1.236 |
| 47 | Ethyl lactate (D) | C97643 | C5H10O3 | 118.1 | 1356.1 | 895.115 | 1.543 |
| 48 | Ethyl lactate (M) | C97643 | C5H10O3 | 118.1 | 1356.4 | 895.637 | 1.139 |
| 49 | Nonanal | C124196 | C9H18O | 142.2 | 1405.1 | 986.519 | 1.474 |
| 50 | 2-Cyclohexen-1-one | C930687 | C6H8O | 96.1 | 1441.7 | 1060.988 | 1.110 |
| 51 | Furfural (M) | C98011 | C5H4O2 | 96.1 | 1486.9 | 1160.527 | 1.086 |
| 52 | Furfural (D) | C98011 | C5H4O2 | 96.1 | 1493.1 | 1174.958 | 1.345 |
| 53 | Acetic acid | C64197 | C2H4O2 | 60.1 | 1496.2 | 1182.140 | 1.159 |
| 54 | 2-Acetyl furan | C1192627 | C6H6O2 | 110.1 | 1537.9 | 1284.113 | 1.112 |
| 55 | Benzaldehyde (D) | C100527 | C7H6O | 106.1 | 1548.3 | 1310.942 | 1.474 |
| 56 | Benzaldehyde (M) | C100527 | C7H6O | 106.1 | 1549.1 | 1313.162 | 1.152 |
| 57 | Propanoic acid | C79094 | C3H6O2 | 74.1 | 1631.7 | 1547.304 | 1.102 |
| 58 | Isobutyric acid (D) | C79312 | C4H8O2 | 88.1 | 1700.0 | 1771.927 | 1.368 |
| 59 | Isobutyric acid (M) | C79312 | C4H8O2 | 88.1 | 1701.7 | 1777.724 | 1.154 |
| 60 | Gamma-butyrolactone (D) | C96480 | C4H6O2 | 86.1 | 1703.8 | 1785.192 | 1.306 |
| 61 | Gamma-butyrolactone (M) | C96480 | C4H6O2 | 86.1 | 1707.6 | 1798.815 | 1.084 |
aRI represents the retention index calculated using an MXT-WAX metal capillary chromatographic column.bRt represents the retention time in the capillary GC column.cDt represents the drift time in the drift tube.dD, dimer; M, monomer.