Table 2.
Intensity (Mean ± STD) of the metabolites in cells detected by LC/QTof-MS.
| Metabolites | Ionization | Experimental | Theoretical | Formula | C | T1 | T2 |
|---|---|---|---|---|---|---|---|
| Tobacco compounds | |||||||
| Anabasine | POS | 163.1238 | 163.1235 | C10H14N2 | 0 | 84.83 ± 19.32 Δ | 88.66 ± 34.54* |
| Anatabine | POS | 161.1084 | 161.1079 | C10H12N2 | 22.08 ± 5.70 | 253.89 ± 10.92 Δ | 254.14 ± 29.52* |
| 2-(1,2,3,4-Tetrahydroxybutyl)-6-(2,3,4-trihydroxybutyl)pyrazine | POS | 305.1348 | 305.1349 | C12H20N2O7 | 10.70 ± 3.76 | 115.65 ± 8.58 Δ | 139.79 ± 16.09*¥ |
| Caffeine | POS | 195.0583 | 195.0882 | C8H10N4O2 | 0 | 6.37 ± 3.89 Δ | 3.84 ± 3.53* |
| Dimethylpyrazine | POS | 109.0765 | 109.0766 | C6H8N2 | 0 | 7.89 ± 1.88 Δ | 17.24 ± 4.32*¥ |
| Periandrin I (1) | POS | 453.3380 | 453.3369 | C30H44O3 | 7.18 ± 1.03 | 2206.21 ± 217.30 Δ | 1957.24 ± 288.99* |
| Periandrin I (2) | POS | 453.3379 | 453.3369 | C30H44O3 | 3.23 ± 0.30 | 845.07 ± 102.00 Δ | 864.87 ± 97.37* |
| Periandrin I (3) | POS | 453.3366 | 453.3369 | C30H44O3 | 0 | 174.25 ± 18.39 Δ | 124.96 ± 13.28*¥ |
| 3-Indoleacetonitrile | POS | 157.0766 | 157.0766 | C10H8N2 | 0 | 173.44 ± 10.43 Δ | 237.30 ± 30.75*¥ |
| Caffeic acid | Neg | 179.0345 | 179.0344 | C9H8O4 | N/A | N/A | N/A |
| Guaiacyl acetate | Neg | 165.0550 | 165.0552 | C9H10O3 | 0 | 45.14 ± 4.12 Δ | 89.67 ± 15.62*¥ |
| Glycerol tributanoate | Neg | 301.1649 | 301.1651 | C15H26O6 | 0 | 23.07 ± 5.33 Δ | 55.88 ± 8.96*¥ |
| Monomenthyl succinate | Neg | 255.1594 | 255.1596 | C14H24O4 | 0 | 17.97 ± 3.97 Δ | 37.33 ± 7.86*¥ |
| 21-Hydroxyisoglabrolide | Neg | 483.3095 | 483.311 | C30H44O5 | 0.63 ± 1.26 | 55.45 ± 3.30 Δ | 33.33 ± 9.39*¥ |
| Vitamins | |||||||
| Riboflavin | POS | 377.1465 | 377.1461 | C17H20N4O6 | 0 | 7.16 ± 1.63 Δ | 6.35 ± 3.65* |
| Ascorbic acid | Neg | 175.0303 | 175.0243 | C6H8O6 | 0 | 6.54 ± 1.94 Δ | 13.49 ± 1.88*¥ |
| Pantothenic acid | Neg | 218.1031 | 218.1028 | C9H17NO5 | 0.66 ± 1.32 | 2.25 ± 1.30 | 7.51 ± 4.66*¥ |
| Bacterial metabolites | |||||||
| Heptaprenyl diphosphate | Neg | 653.3744 | 653.3736 | C35H60O7P2 | 470.67 ± 66.92 | 27.60 ± 7.22 Δ | 0.32 ± 0.71*¥ |
| Hydroxyphenylpyruvic acid sulfate | Neg | 259.0121 | 258.9912 | C9H8SO7 | 26.17 ± 10.14 | 5.87 ± 3.31 Δ | 1.61 ± 3.59* |
| Leucinic acid | Neg | 131.0702 | 131.0708 | C6H12O3 | 405.13 ± 43.16 | 175.73 ± 15.61 Δ | 165.98 ± 78.39* |
| Phenyllactic acid | Neg | 165.0548 | 165.0552 | C9H10O3 | 91.25 ± 24.57 | 48.15 ± 6.26 Δ | 43.27 ± 21.36* |
| Endogenous metabolites | |||||||
| Oxidative stress | |||||||
| Glutamate | Neg | 128.0338 | 128.0348 | C5H7NO3 | 455.80 ± 15.98 | 168.63 ± 12.95 Δ | 85.71 ± 83.16* |
| Glutathione | POS | 308.1641 | 308.0916 | C10H17N3O6S | 47.80 ± 5.02 | 13.01 ± 2.73 Δ | 11.42 ± 3.95* |
| Methionine | POS | 150.0600 | 150.0589 | C5H11NO2S | 71.78 ± 8.20 | 49.52 ± 10.70 Δ | 32.78 ± 6.27*¥ |
| S-Adenosylmethionine | POS | 399.1335 | 399.1451 | C15H22N6O5S | 34.93 ± 5.99 | 0.86 ± 1.93 Δ | 0* |
| Oxidized Glutathione | Neg | 611.1387 | 611.1441 | C20H32N6O12S2 | 42.73 ± 5.87 | 7.14 ± 2.47 Δ | 2.21 ± 1.40*¥ |
| Pyroglutamic acid | Neg | 128.0344 | 128.0348 | C5H7NO3 | 273.04 ± 36.89 | 153.27 ± 14.19 Δ | 321.44 ± 25.92*¥ |
| Taurine | Neg | 124.0071 | 124.0068 | C2H7NO3S | 82.05 ± 14.44 | 25.89 ± 3.83 Δ | 29.42 ± 8.42* |
| Arginine pathway | |||||||
| Arginine | POS | 175.1131 | 175.1195 | C6H14N4O2 | 33.43 ± 8.08 | 14.49 ± 2.30 Δ | 10.47 ± 3.36* |
| Citrulline | POS | 176.1045 | 176.1035 | C6H13N3O3 | 61.43 ± 8.48 | 35.81 ± 7.84 Δ | 27.17 ± 22.50* |
| Creatinine | POS | 114.0663 | 114.0667 | C4H7N3O | 98.87 ± 7.99 | 30.65 ± 7.25 Δ | 19.62 ± 15.52* |
| Phenylalanine | POS | 120.0816 | 120.0813 | C8H9N | 1396.42 ± 236.33 | 744.99 ± 222.41 Δ | 1356.23 ± 156.93¥ |
| Proline | POS | 116.0715 | 116.0712 | C5H9NO2 | 382.18 ± 19.78 | 258.07 ± 75.78 Δ | 116.73 ± 6.40*¥ |
| Aspartic acid | Neg | 132.0292 | 132.0297 | C4H7NO4 | 1195.03 ± 73.40 | 696.20 ± 71.92 Δ | 302.94 ± 283.39*¥ |
| Glutamate | Neg | 128.0338 | 128.0348 | C5H7NO3 | 455.80 ± 15.98 | 168.63 ± 12.95 Δ | 85.71 ± 83.16* |
| Others | |||||||
| Tryptophan | POS | 188.0714 | 188.0712 | C11H9NO2 | 1092.41 ± 50.32 | 619.00 ± 97.68 Δ | 1147.30 ± 76.73¥ |
| Tyrosine | POS | 136.0765 | 136.0762 | C8H9NO | 92.09 ± 11.96 | 59.98 ± 9.47 Δ | 79.59 ± 5.10¥ |
| Leucine | Neg | 130.0864 | 130.0868 | C6H13NO2 | 76.71 ± 13.97 | 18.94 ± 12.84 Δ | 57.84 ± 7.21¥ |
| 5′-Methylthioadenosine | POS | 136.0629 | 136.0623 | C5H5N5 | 179.00 ± 17.11 | 31.78 ± 21.38 Δ | 3.06 ± 4.19*¥ |
| Adenine | POS | 136.0646 | 136.0623 | C5H5N5 | 1044.92 ± 48.06 | 691.30 ± 405.55 | 269.30 ± 42.96*¥ |
| Inosine | Neg | 267.0725 | 267.0729 | C10H12N4O5 | 35.85 ± 3.42 | 5.14 ± 3.08 Δ | 10.91 ± 6.88* |
| Asparaginyl-Glutamine | POS | 261.1242 | 261.1199 | C9H16N4O5 | 184.21 ± 13.98 | 102.65 ± 19.25 Δ | 144.18 ± 4.20*¥ |
| Carnitine | POS | 162.1125 | 162.113 | C7H15NO3 | 110.64 ± 6.57 | 40.66 ± 4.83 Δ | 35.28 ± 5.84* |
| Azelaic acid | Neg | 187.0967 | 187.097 | C9H16O4 | 31.64 ± 1.51 | 82.36 ± 13.22 Δ | 142.34 ± 18.50*¥ |
| Cytidine monophosphate | Neg | 322.0478 | 322.024 | C9H14N3O8P | 134.98 ± 15.85 | 9.58 ± 5.04 Δ | 5.34 ± 3.41* |
| Gluconic acid | Neg | 195.0502 | 195.0505 | C6H12O7 | 77.76 ± 21.18 | 373.26 ± 22.85 Δ | 314.57 ± 137.85* |
| Glucose or other sugar | Neg | 179.0551 | 179.0556 | C6H12O6 | 435.53 ± 55.94 | 180.56 ± 42.81 Δ | 163.71 ± 38.26* |
| Myristic acid | Neg | 227.2014 | 227.2011 | C14H28O2 | 162.41 ± 23.06 | 44.69 ± 11.32 Δ | 16.68 ± 6.60*¥ |
| Sebacic acid | Neg | 201.1111 | 201.1127 | C10H18O4 | 19.48 ± 1.64 | 19.46 ± 3.67 | 32.10 ± 3.69*¥ |
| Undecanedionic acid | Neg | 215.1282 | 215.1283 | C11H20O4 | 11.01 ± 4.29 | 33.06 ± 8.17 Δ | 75.84 ± 14.48*¥ |
| Methylmalonic acid | Neg | 117.0159 | 117.0188 | C4H6O4 | 0 | 42.74 ± 3.57 Δ | 86.09 ± 19.69*¥ |
| Cytochalasin Npho | Neg | 492.2721 | 492.275 | C30H39NO5 | 180.10 ± 17.42 | 109.97 ± 12.66 Δ | 35.28 ± 14.17*¥ |
| LysoPC(14:1) | POS | 466.2933 | 466.2934 | C22H44NO7P | 242.67 ± 10.36 | 99.88 ± 1.49 Δ | 5.57 ± 0.49*¥ |
| peptide containing Asparaginyl-Proline | POS | 668.3610 | Unknown | 129.69 ± 2.81 | 66.58 ± 1.50 Δ | 171.24 ± 3.02*¥ | |
| peptide containing Asparaginyl-Proline (2) | POS | 230.1146 | Unknown | 87.08 ± 0.88 | 34.89 ± 1.03 Δ | 90.10 ± 1.98¥ | |
| peptide containing Leucyl-Proline | POS | 229.1552 | Unknown | 392.82 ± 6.56 | 110.27 ± 3.25 Δ | 385.23 ± 20.18¥ | |
Asterisks indicate statistically significant differences at p < 0.05 *: T2 vs C and ¥: T2 vs T1, while Δ: T1 vs C. Measures for which differences between controls and T1 or T2 are not significant are highlighted.