Table 1.
Identification of significantly differential metabolites for lungs from control, CLP, and XBJ treated groups by UPLC-MS/TOF. Identification of significantly differential metabolites for lung from control, CLP, and XBJ injection treated groups by UPLC-MS/TOF. Potential biomarkers related to endotoxemia induced acute lung injury and the related metabolic pathways. a Metabolites validated with standard sample. b Metabolites putatively annotated.
| NO | RT/min | Detected M/Z | Theoretical M/Z | Ion | Formula | PPM | Metabolites | Fold change | Related pathway | |
|---|---|---|---|---|---|---|---|---|---|---|
| LPS/CON | LPS+XBJ/LPS | |||||||||
| 1 | 0.70 | 132.0766 | 132.0768 | [M+H]+ | C4H9N3O2 | 1.51 | Creatine a | 0.48 | 1.55 | Glycine, serine and threonine metabolism |
| 2 | 1.01 | 137.0458 | 137.0458 | [M+H]+ | C5H4N4O | 0 | Hypoxanthine a | 0.39 | 1.19 | Purine metabolism |
| 3 | 1.05 | 151.0254 | 151.0261 | [M-H]− | C5H4N4O2 | 4.63 | Xanthine a | 0.78 | 1.11 | Purine metabolism |
| 4 | 1.01 | 169.0358 | 169.0356 | [M+H]+ | C5H4N4O3 | 1.18 | Uric acid a | 1.76 | 0.80 | Purine metabolism |
| 5 | 1.01 | 308.0907 | 308.0911 | [M+H]+ | C10H17N3O6S | 1.30 | Glutathione a | 0.32 | 2.57 | Glutathione metabolism |
| 6 | 1.01 | 306.0742 | 306.0765 | [M-H]− | C10H17N3O6S | 7.51 | Glutathione a | 0.29 | 2.00 | Glutathione metabolism |
| 7 | 1.31 | 132.1018 | 132.1019 | [M+H]+ | C6H13NO2 | 0.76 | L-Leucine a | 0.98 | 1.02 | Valine, leucine and isoleucine metabolism |
| 8 | 8.45 | 274.2743 | 274.2741 | [M+H]+ | C16H35NO2 | 0.73 | C16 Sphinganine b | 0.66 | 2.86 | Sphingolipid metabolism |
| 9 | 9.80 | 300.2902 | 300.2897 | [M+H]+ | C18H37NO2 | 1.67 | Sphingosine b | 0.93 | 0.56 | Sphingolipid metabolism |
| 10 | 10.84 | 339.2895 | 339.2894 | [M+H]+ | C21H38O3 | 0.29 | Glycidyl oleate b | 1.39 | 1.43 | Linoleic acid metabolism |
| 11 | 14.17 | 255.2320 | 255.2330 | [M-H]− | C16H32O2 | 3.92 | Palmitic acid b | 0.80 | 0.79 | Fatty acid metabolism |
| 12 | 13.44 | 303.2319 | 303.2330 | [M-H]− | C20H32O2 | 3.63 | Arachidonic Acid a | 0.72 | 1.44 | Arachidonic acid metabolism |
| 13 | 10.11 | 478.2934 | 478.2928 | [M+H]+ | C23H44NO7P | 1.25 | LysoPE(18:2/0:0) b | 1.85 | 1.21 | Phospholipid metabolism |
| 14 | 10.18 | 526.2935 | 526.2928 | [M+H]+ | C27H44NO7P | 1.33 | PE(22:6/0:0) b | 1.28 | 1.34 | Phospholipid metabolism |
| 15 | 10.18 | 502.2933 | 502.2928 | [M+H]+ | C25H44NO7P | 1.00 | LysoPE(20:4/0:0) b | 1.41 | 1.25 | Phospholipid metabolism |
| 16 | 10.18 | 361.2741 | 361.2737 | [M+H]+ | C23H36O3 | 1.11 | O-Arachidonoyl Glycidol b | 1.44 | 1.23 | Phospholipid metabolism |
| 17 | 10.21 | 568.3400 | 568.3398 | [M+H]+ | C30H50NO7P | 0.35 | LysoPC(22:6) b | 0.59 | 1.37 | Phospholipid metabolism |
| 18 | 10.21 | 544.3405 | 544.3398 | [M+H]+ | C28H50NO7P | 1.29 | LysoPC(20:4) b | 0.76 | 1.08 | Phospholipid metabolism |
| 19 | 10.24 | 520.3404 | 520.3398 | [M+H]+ | C26H50NO7P | 1.15 | LysoPC(18:2) b | 0.84 | 0.81 | Phospholipid metabolism |
| 20 | 10.44 | 528.3090 | 528.3085 | [M+H]+ | C27H46NO7P | 0.95 | LysoPE(22:5/0:0) b | 1.29 | 1.59 | Phospholipid metabolism |
| 21 | 10.57 | 504.3087 | 504.3085 | [M+H]+ | C25H46NO7P | 0.40 | LysoPE(20:3/0:0) b | 1.35 | 1.46 | Phospholipid metabolism |
| 22 | 10.62 | 496.3404 | 496.3398 | [M+H]+ | C24H50NO7P | 1.21 | LysoPC(16:0) b | 0.61 | 2.31 | Phospholipid metabolism |
| 23 | 10.69 | 454.2933 | 454.2928 | [M+H]+ | C21H44NO7P | 1.10 | LysoPE(0:0/16:0) b | 0.94 | 0.84 | Phospholipid metabolism |
| 24 | 10.84 | 480.3093 | 480.3085 | [M+H]+ | C23H46NO7P | 1.67 | LysoPE(18:1/0:0) b | 1.47 | 1.44 | Phospholipid metabolism |
| 25 | 11.01 | 482.3610 | 482.3605 | [M+H]+ | C24H52NO6P | 1.04 | PC(O-16:0/0:0) b | 1.63 | 0.79 | Phospholipid metabolism |
| 26 | 11.03 | 530.3247 | 530.3241 | [M+H]+ | C27H48NO7P | 1.13 | LysoPE(22:4/0:0) b | 1.70 | 1.38 | Phospholipid metabolism |
| 27 | 11.09 | 438.2985 | 438.2979 | [M+H]+ | C21H44NO6P | 1.37 | PE(P-16:0/0:0) b | 1.01 | 0.67 | Phospholipid metabolism |
| 28 | 11.16 | 506.3244 | 506.3241 | [M+H]+ | C25H48NO7P | 0.59 | LysoPE(20:2/0:0) b | 1.54 | 1.43 | Phospholipid metabolism |
| 29 | 11.99 | 524.3717 | 524.3711 | [M+H]+ | C26H54NO7P | 1.14 | PC(18:0/0:0) b | 1.06 | 0.97 | Phospholipid metabolism |
| 31 | 12.01 | 558.3555 | 558.3530 | [M+H]+ | C29H52NO7P | 4.48 | PC(21:4/0:0) b | 1.58 | 1.48 | Phospholipid metabolism |
| 32 | 12.01 | 482.3248 | 482.3241 | [M+H]+ | C23H48NO7P | 1.45 | LysoPE(0:0/18:0) b | 0.81 | 0.79 | Phospholipid metabolism |
| 33 | 12.03 | 508.3400 | 508.3398 | [M+H]+ | C25H50NO7P | 0.39 | LysoPE(20:1/0:0) b | 1.41 | 1.52 | Phospholipid metabolism |
| 34 | 12.35 | 510.3918 | 510.3918 | [M+H]+ | C26H56NO6P | 0 | PC(O-18:0/0:0) b | 2.18 | 0.66 | Phospholipid metabolism |
| 36 | 10.63 | 452.2777 | 452.2783 | [M-H]− | C21H44NO7P | 1.33 | PE(16:0/0:0) b | 0.81 | 0.50 | Phospholipid metabolism |
| 37 | 10.14 | 476.2777 | 476.2783 | [M-H]− | C23H44NO7P | 1.26 | LysoPE(0:0/18:2) b | 1.45 | 0.95 | Phospholipid metabolism |
| 38 | 10.87 | 478.2936 | 478.2939 | [M-H]− | C23H46NO7P | 0.63 | PE(18:1/0:0) b | 1.24 | 0.98 | Phospholipid metabolism |
| 39 | 12.09 | 480.3088 | 480.3096 | [M-H]− | C23H48NO7P | 1.67 | LysoPE(0:0/18:0) b | 0.91 | 0.83 | Phospholipid metabolism |
| 40 | 10.21 | 500.2779 | 500.2783 | [M-H]− | C25H44NO7P | 0.80 | LysoPE(0:0/20:4) b | 1.23 | 0.96 | Phospholipid metabolism |
| 41 | 10.59 | 502.2930 | 502.2939 | [M-H]− | C25H46NO7P | 1.79 | LysoPE(0:0/20:3) b | 1.15 | 0.99 | Phospholipid metabolism |
| 42 | 10.20 | 524.2782 | 524.2783 | [M-H]− | C27H44NO7P | 0.19 | LysoPE(0:0/22:6) b | 1.12 | 1.04 | Phospholipid metabolism |
| 43 | 10.78 | 526.2934 | 526.2939 | [M-H]− | C27H46NO7P | 0.95 | LysoPE(0:0/22:5) b | 1.33 | 1.02 | Phospholipid metabolism |
| 44 | 11.07 | 528.3093 | 528.3096 | [M-H]− | C27H48NO7P | 0.57 | LysoPE(0:0/22:4) b | 1.37 | 0.96 | Phospholipid metabolism |
| 45 | 10.64 | 540.3303 | 540.3307 | [M+FA-H]− | C24H50NO7P | 0.74 | PC(16:0/0:0) b | 0.87 | 0.91 | Phospholipid metabolism |
| 46 | 10.99 | 566.3454 | 566.3463 | [M+FA-H]− | C26H52NO7P | 1.59 | PC(P-16:0/2:0) b | 0.66 | 1.06 | Phospholipid metabolism |
| 47 | 12.04 | 568.3616 | 568.3620 | [M+FA-H]− | C26H54NO7P | 0.70 | PC(O-16:0/2:0) b | 1.05 | 0.92 | Phospholipid metabolism |
| 48 | 10.23 | 588.3298 | 588.3307 | [M+FA-H]− | C28H50NO7P | 1.53 | PC(20:4/0:0) b | 0.68 | 0.99 | Phospholipid metabolism |