Evidence-Based Complementary and Alternative Medicine / 2018 / Article / Tab 1 / Research Article
UHPLC-Q-TOF MS-Based Metabolic Analysis for the Therapeutic Efficacy of “Xuebijing Injection” against Sepsis-Induced Acute Lung Injury 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.
Metabolites validated with standard sample.
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]+ C4 H9 N3 O2 1.51 Creatine 0.48 1.55 Glycine, serine and threonine metabolism 2 1.01 137.0458 137.0458 [M+H]+ C5 H4 N4 O 0 Hypoxanthine 0.39 1.19 Purine metabolism 3 1.05 151.0254 151.0261 [M-H]- C5 H4 N4 O2 4.63 Xanthine 0.78 1.11 Purine metabolism 4 1.01 169.0358 169.0356 [M+H]+ C5 H4 N4 O3 1.18 Uric acid 1.76 0.80 Purine metabolism 5 1.01 308.0907 308.0911 [M+H]+ 1.30 Glutathione 0.32 2.57 Glutathione metabolism 6 1.01 306.0742 306.0765 [M-H]- 7.51 Glutathione 0.29 2.00 Glutathione metabolism 7 1.31 132.1018 132.1019 [M+H]+ C6 2 0.76 L-Leucine 0.98 1.02 Valine, leucine and isoleucine metabolism 8 8.45 274.2743 274.2741 [M+H]+ 2 0.73 C16 Sphinganine 0.66 2.86 Sphingolipid metabolism 9 9.80 300.2902 300.2897 [M+H]+ 2 1.67 Sphingosine 0.93 0.56 Sphingolipid metabolism 10 10.84 339.2895 339.2894 [M+H]+ 3 0.29 Glycidyl oleate 1.39 1.43 Linoleic acid metabolism 11 14.17 255.2320 255.2330 [M-H]- 2 3.92 Palmitic acid 0.80 0.79 Fatty acid metabolism 12 13.44 303.2319 303.2330 [M-H]- 2 3.63 Arachidonic Acid 0.72 1.44 Arachidonic acid metabolism 13 10.11 478.2934 478.2928 [M+H]+ 7 P1.25 LysoPE(18:2/0:0) 1.85 1.21 Phospholipid metabolism 14 10.18 526.2935 526.2928 [M+H]+ 7 P1.33 PE(22:6/0:0) 1.28 1.34 Phospholipid metabolism 15 10.18 502.2933 502.2928 [M+H]+ 7 P1.00 LysoPE(20:4/0:0) 1.41 1.25 Phospholipid metabolism 16 10.18 361.2741 361.2737 [M+H]+ 3 1.11 O-Arachidonoyl Glycidol 1.44 1.23 Phospholipid metabolism 17 10.21 568.3400 568.3398 [M+H]+ 7 P0.35 LysoPC(22:6) 0.59 1.37 Phospholipid metabolism 18 10.21 544.3405 544.3398 [M+H]+ 7 P1.29 LysoPC(20:4) 0.76 1.08 Phospholipid metabolism 19 10.24 520.3404 520.3398 [M+H]+ 7 P1.15 LysoPC(18:2) 0.84 0.81 Phospholipid metabolism 20 10.44 528.3090 528.3085 [M+H]+ 7 P0.95 LysoPE(22:5/0:0) 1.29 1.59 Phospholipid metabolism 21 10.57 504.3087 504.3085 [M+H]+ 7 P0.40 LysoPE(20:3/0:0) 1.35 1.46 Phospholipid metabolism 22 10.62 496.3404 496.3398 [M+H]+ 7 P1.21 LysoPC(16:0) 0.61 2.31 Phospholipid metabolism 23 10.69 454.2933 454.2928 [M+H]+ 7 P1.10 LysoPE(0:0/16:0) 0.94 0.84 Phospholipid metabolism 24 10.84 480.3093 480.3085 [M+H]+ 7 P1.67 LysoPE(18:1/0:0) 1.47 1.44 Phospholipid metabolism 25 11.01 482.3610 482.3605 [M+H]+ 6 P1.04 PC(O-16:0/0:0) 1.63 0.79 Phospholipid metabolism 26 11.03 530.3247 530.3241 [M+H]+ 7 P1.13 LysoPE(22:4/0:0) 1.70 1.38 Phospholipid metabolism 27 11.09 438.2985 438.2979 [M+H]+ 6 P1.37 PE(P-16:0/0:0) 1.01 0.67 Phospholipid metabolism 28 11.16 506.3244 506.3241 [M+H]+ 7 P0.59 LysoPE(20:2/0:0) 1.54 1.43 Phospholipid metabolism 29 11.99 524.3717 524.3711 [M+H]+ 7 P1.14 PC(18:0/0:0) 1.06 0.97 Phospholipid metabolism 31 12.01 558.3555 558.3530 [M+H]+ 7 P4.48 PC(21:4/0:0) 1.58 1.48 Phospholipid metabolism 32 12.01 482.3248 482.3241 [M+H]+ 7 P1.45 LysoPE(0:0/18:0) 0.81 0.79 Phospholipid metabolism 33 12.03 508.3400 508.3398 [M+H]+ 7 P0.39 LysoPE(20:1/0:0) 1.41 1.52 Phospholipid metabolism 34 12.35 510.3918 510.3918 [M+H]+ 6 P0 PC(O-18:0/0:0) 2.18 0.66 Phospholipid metabolism 36 10.63 452.2777 452.2783 [M-H]- 7 P1.33 PE(16:0/0:0) 0.81 0.50 Phospholipid metabolism 37 10.14 476.2777 476.2783 [M-H]- 7 P1.26 LysoPE(0:0/18:2) 1.45 0.95 Phospholipid metabolism 38 10.87 478.2936 478.2939 [M-H]- 7 P0.63 PE(18:1/0:0) 1.24 0.98 Phospholipid metabolism 39 12.09 480.3088 480.3096 [M-H]- 7 P1.67 LysoPE(0:0/18:0) 0.91 0.83 Phospholipid metabolism 40 10.21 500.2779 500.2783 [M-H]- 7 P0.80 LysoPE(0:0/20:4) 1.23 0.96 Phospholipid metabolism 41 10.59 502.2930 502.2939 [M-H]- 7 P1.79 LysoPE(0:0/20:3) 1.15 0.99 Phospholipid metabolism 42 10.20 524.2782 524.2783 [M-H]- 7 P0.19 LysoPE(0:0/22:6) 1.12 1.04 Phospholipid metabolism 43 10.78 526.2934 526.2939 [M-H]- 7 P0.95 LysoPE(0:0/22:5) 1.33 1.02 Phospholipid metabolism 44 11.07 528.3093 528.3096 [M-H]- 7 P0.57 LysoPE(0:0/22:4) 1.37 0.96 Phospholipid metabolism 45 10.64 540.3303 540.3307 [M+FA-H]- 7 P0.74 PC(16:0/0:0) 0.87 0.91 Phospholipid metabolism 46 10.99 566.3454 566.3463 [M+FA-H]- 7 P1.59 PC(P-16:0/2:0) 0.66 1.06 Phospholipid metabolism 47 12.04 568.3616 568.3620 [M+FA-H]- 7 P0.70 PC(O-16:0/2:0) 1.05 0.92 Phospholipid metabolism 48 10.23 588.3298 588.3307 [M+FA-H]- 7 P1.53 PC(20:4/0:0) 0.68 0.99 Phospholipid metabolism
