Table 1.
Identified differentially expressed metabolites between HJC0152‐treated and control A549 cells
| Metabolite | Rt (s) | m/z | ESI± | VIP | FC | P‐value |
|---|---|---|---|---|---|---|
| Adenosine monophosphate (AMP) | 346.05 | 406.48 | ± | 1.66 | 0.36 | .002 |
| Adenosine | 268.1 | 162.65 | ± | 3.87 | 0.29 | .019 |
| Adenine | 134.05 | 155.07 | ± | 2.6 | 0.39 | .033 |
| Inosine | 267.07 | 210.71 | − | 1.41 | 0.51 | .01 |
| Hypoxanthine | 137.04 | 162.48 | ± | 3.28 | 0.4 | .015 |
| Adenosine 5'‐diphosphate (ADP) | 426.02 | 439.47 | − | 2.35 | 0.4 | .001 |
| L‐glutamine | 145.06 | 347.84 | − | 1.65 | 0.21 | .002 |
| L‐glutamate | 148.06 | 372.63 | ± | 2.85 | 0.39 | <.001 |
| Deoxyguanosine triphosphate (dGTP) | 505.99 | 463.13 | − | 2.07 | 0.51 | .009 |
| Uridine diphosphate glucose (UDP‐D‐glucose) | 565.05 | 421.03 | − | 1.96 | 0.46 | .001 |
| Uridine 5'‐monophosphate (UMP) | 323.03 | 417.94 | − | 1.47 | 0.34 | <.001 |
| Uridine | 243.06 | 158.52 | − | 2.82 | 0.3 | .004 |
| Uracil | 113.03 | 86.21 | + | 1.42 | 0.36 | .013 |
| Uridine 5'‐diphosphate (UDP) | 402.99 | 452.34 | ± | 2.18 | 0.32 | .001 |
| Uridine 5'‐triphosphate (UTP) | 482.96 | 472.04 | − | 1.24 | 0.48 | .004 |
| Glycerophosphocholine | 258.11 | 363.48 | + | 8.08 | 2.38 | .002 |
| sn‐Glycerol 3‐phosphoethanolamine | 215.06 | 143.17 | + | 3.47 | 0.02 | .001 |
| Choline | 104.11 | 363.48 | + | 1.38 | 1.92 | .004 |
| Phosphorylcholine | 184.07 | 455.46 | ± | 7.49 | 0.55 | <.001 |
| Glutathione disulphide | 611.15 | 470.75 | ± | 5.09 | 0.24 | <.001 |
| Glutathione | 308.09 | 377.21 | ± | 5.03 | 0.13 | .009 |
| L‐pyroglutamic acid | 128.03 | 373.19 | ± | 2.31 | 0.33 | <.001 |
| Nicotinamide adenine dinucleotide (NAD) | 662.1 | 412.11 | ± | 2.02 | 0.5 | .001 |
| Nicotinamide | 123.05 | 65.3 | + | 1.93 | 0.63 | .005 |
| 1‐Methylnicotinamide | 137.07 | 278.4 | + | 3.1 | 0.37 | .034 |
| S‐methyl‐5'‐thioadenosine | 296.08 | 48.84 | ± | 2.26 | 0.35 | <.001 |
| 1‐Aminocyclopropanecarboxylic acid | 84.04 | 372.78 | + | 1.75 | 0.41 | <.001 |
| N‐acetyl‐L‐aspartic acid | 174.04 | 369.4 | − | 3.44 | 0.23 | <.001 |
| Succinate | 117.02 | 363.98 | − | 1.41 | 0.36 | <.001 |
| Phosphocreatine | 212.04 | 416.63 | + | 1.65 | 0.21 | <.001 |
| Taurine | 124.01 | 275.4 | ± | 2.82 | 0.26 | .001 |
| Betaine | 118.08 | 256.28 | + | 1.82 | 0.47 | .011 |
| Ketoisocaproic acid | 129.05 | 41.54 | − | 6.87 | 3.57 | .031 |
| L‐valine | 118.08 | 281.97 | + | 2.19 | 1.47 | .03 |
| cis‐9‐Palmitoleic acid | 253.22 | 42.94 | − | 1.18 | 0.71 | .01 |
| Myristic acid | 227.2 | 43.84 | − | 1.35 | 0.69 | .014 |
| Sphingomyelin (d18:1/18:0) | 794.6 | 44.6 | + | 1.16 | 1.56 | .048 |
| Uridine 5'‐diphosphoglucuronic acid (UDP‐D‐glucuronate) | 579.03 | 453.41 | − | 1.43 | 0.6 | .002 |
| Arachidonic acid (peroxide free) | 303.23 | 41.45 | − | 7.3 | 3.13 | .001 |
| L‐malic acid | 133.01 | 382.85 | − | 1.59 | 0.32 | .007 |
| Linoleic acid | 279.23 | 42.1 | − | 4.03 | 1.61 | .014 |
| 1‐Deoxy‐D‐xylulose 5‐phosphate | 273.04 | 385.04 | − | 2.39 | 0.15 | .024 |
| Adenosine 3',5'‐diphosphate (PAP) | 428.04 | 438.22 | + | 2.19 | 0.42 | .001 |
| 1‐Oleoyl‐sn‐glycero‐3‐phosphocholine | 522.36 | 138.27 | + | 5.52 | 0.26 | <.001 |
| N‐acetylglutamine | 249.11 | 392.42 | + | 1.64 | 0.06 | <.001 |
| 1‐Myristoyl‐sn‐glycero‐3‐phosphocholine | 468.31 | 152.33 | + | 1.23 | 0.22 | .001 |
| 1‐Palmitoyl‐sn‐glycero‐3‐phosphocholine | 496.34 | 145.67 | + | 3.9 | 0.45 | .001 |
| Cyclic adenosine diphosphate ribose | 540.05 | 412.11 | − | 1.37 | 0.51 | .001 |
| 11(Z),14(Z)‐Eicosadienoic Acid | 307.26 | 41.1 | − | 2.48 | 1.37 | .001 |
| 7Z, 10Z, 13Z, 16Z, 19Z‐Docosapentaenoic acid | 329.25 | 40.45 | − | 3.06 | 1.41 | .002 |
| Penicillin G | 333.09 | 44.97 | − | 2.11 | 0.04 | .003 |
| 1‐Stearoyl‐2‐hydroxy‐sn‐glycero‐3‐phosphocholine | 524.37 | 135.57 | + | 1.96 | 0.43 | <.001 |
| 1‐Stearoyl‐sn‐glycerol 3‐phosphocholine | 568.34 | 131.65 | + | 1.75 | 0.13 | <.001 |
| 1,2‐dioleoyl‐sn‐glycero‐3‐phosphatidylcholine | 768.59 | 129.12 | + | 1.61 | 2.38 | .014 |
| 1‐Palmitoyl‐2‐oleoyl‐phosphatidylglycerol | 747.52 | 42.79 | − | 8.67 | 7.69 | <.001 |
| Ile‐Ala | 203.14 | 41.63 | + | 1.5 | 0.27 | .032 |
| Myristoleic acid | 225.18 | 43.57 | − | 1.35 | 0.43 | <.001 |
| Pentadecanoic acid | 241.21 | 43.14 | − | 1.53 | 0.59 | <.001 |
| 4‐Nonylphenol | 219.17 | 32.12 | − | 2.2 | 3.03 | <.001 |
| Docosatrienoic acid | 333.28 | 40.11 | − | 1.94 | 1.85 | <.001 |
| Adrenic acid | 331.26 | 40.71 | − | 2.09 | 1.92 | <.001 |
| Cyclohexylamine | 160.13 | 361.87 | + | 1.17 | 0.4 | .001 |
| DL‐lactate | 89.02 | 222.39 | − | 3.46 | 0.5 | .011 |
Abbreviations: FC, fold change; m/z, mass‐to‐charge ratio; Rt, retention time; VIP, variable importance in the projection.