TABLE 1.
Detailed information of 55 differentially expressed metabolites.
| No. | Adduct Type | m/z | RT (min) | Compound ID | Description | Class | Intensity in MOD (n = 7) | Intensity in CON (n = 9) | Intensity in CZTL-M (n = 8) |
|---|---|---|---|---|---|---|---|---|---|
| 1 | [M + H]+ | 266.0738 | 0.86 | HMDB0000162 | L-Proline | Amino acids, peptides, and analogues | 13.2 ± 2.26 | 21.51 ± 6.18 | 18.17 ± 2.59 |
| 2 | [M + H]+ | 367.1208 | 0.86 | HMDB0000089 | Cytidine | Pyrimidine nucleosides | 7.53 ± 1.12 | 10.41 ± 1.48 | 7.98 ± 1.74 |
| 3 | [M + H]+ | 242.9831 | 1.24 | HMDB0060689 | Phosphoramide mustard | Nitrogen mustard compounds | 5.73 ± 1.24 | 6.67 ± 1.43 | 8.66 ± 1.81 |
| 4 | [M + H]+ | 258.1075 | 1.66 | HMDB0000982 | 5-Methylcytidine | Pyrimidine nucleosides | 3.55 ± 0.33 | 4.24 ± 0.62 | 4.27 ± 0.63 |
| 5 | [M + H]+ | 384.1137 | 4.27 | HMDB0000912 | Succinyladenosine | Purine nucleosides | 2.91 ± 1.26 | 3.14 ± 0.88 | 4.7 ± 1.31 |
| 6 | [M-H]- | 565.1967 | 5.14 | HMDB0012994 | Leukotriene D5 | Eicosanoids | 27.39 ± 7.85 | 11.35 ± 2.77 | 25.08 ± 5.39 |
| 7 | [M-H]- | 119.0500 | 7.80 | HMDB0062775 | 4-vinylphenol Sulfate | Arylsulfates | 23.03 ± 10.92 | 55.69 ± 19.24 | 26.61 ± 7.54 |
| 8 | [M-H]- | 858.5517 | 20.03 | HMDB0012382 | PS(18:0/20:3 (8Z,11Z,14Z)) | Glycerophosphoserines | 3.03 ± 0.66 | 4.7 ± 1.73 | 3.22 ± 1.22 |
| 9 | [M-H]- | 335.2218 | 21.16 | HMDB0001085 | Leukotriene B4 | Eicosanoids | 13.12 ± 2.55 | 10.8 ± 2.65 | 8.03 ± 2.4 |
| 10 | [M-H]- | 512.2981 | 27.14 | HMDB0010379 | LysoPC(14:0) | Glycerophosphocholines | 604.26 ± 156.31 | 915.82 ± 260.8 | 990.86 ± 262.06 |
| 11 | [M + H]+ | 518.3224 | 27.72 | HMDB0010382 | LysoPC(16:0) | Glycerophosphocholines | 64.07 ± v18.27 | 108.64 ± 26.71 | 89.49 ± 11.35 |
| 12 | [M-H]- | 562.3132 | 27.76 | HMDB0010388 | LysoPC(18:3 (9Z,12Z,15Z)) | Glycerophosphocholines | 333.43 ± 82.48 | 453.26 ± 106.15 | 452.51 ± 46.2 |
| 13 | [M-H]- | 480.1648 | 28.03 | HMDB0000277 | Sphingosine 1-phosphate | Phosphosphingolipids | 946.21 ± 295.82 | 1035.72 ± 224.94 | 1832.06 ± 586.36 |
| 14 | [M + H]+ | 494.3237 | 28.13 | HMDB0010383 | LysoPC(16:1 (9Z)) | Glycerophosphocholines | 525.68 ± 199.47 | 1251.79 ± 424.36 | 804.58 ± 225.34 |
| 15 | [M-H]- | 335.2201 | 28.39 | HMDB0014347 | Succinylcholine | Quaternary ammonium salts | 9.61 ± 1.83 | 6.11 ± 2.36 | 7.19 ± 2.82 |
| 16 | [M-H]- | 588.3296 | 28.86 | HMDB0010404 | LysoPC(22:6 (4Z,7Z,10Z,13Z,16Z,19Z)) | Glycerophosphocholines | 1370.07 ± 467.68 | 1714.79 ± 282.19 | 2004.9 ± 479.77 |
| 17 | [M + H]+ | 482.3229 | 29.18 | HMDB0010381 | LysoPC(15:0) | Glycerophosphocholines | 356.36 ± 96.13 | 657.43 ± 138.68 | 465.38 ± 138.02 |
| 18 | [M-H]- | 380.2565 | 29.41 | HMDB0001383 | Sphinganine 1-phosphate | Phosphosphingolipids | 180.78 ± 73.56 | 182.14 ± 47.81 | 416.84 ± 134.31 |
| 19 | [M + H]+ | 544.3397 | 29.59 | HMDB0010396 | LysoPC(20:4 (8Z,11Z,14Z,17Z)) | Glycerophosphocholines | 17355.96 ± 3141.48 | 27142.67 ± 3767.24 | 20578.88 ± 2578.97 |
| 20 | [M-H]- | 588.3300 | 29.64 | HMDB0010395 | LysoPC(20:4 (5Z,8Z,11Z,14Z)) | Glycerophosphocholines | 31859.89 ± 3568.08 | 43718.46 ± 3782.86 | 37600.31 ± 4605.97 |
| 21 | [M-H]- | 564.3300 | 29.74 | HMDB0010386 | LysoPC(18:2 (9Z,12Z)) | Glycerophosphocholines | 34455.31 ± 5984.84 | 35171.02 ± 5553.49 | 41544.27 ± 5640.4 |
| 22 | [M-H]- | 614.3448 | 30.09 | HMDB0010402 | LysoPC(22:5 (4Z,7Z,10Z,13Z,16Z)) | Glycerophosphocholines | 283.23 ± 121.98 | 438.81 ± 138.94 | 389.85 ± 120.57 |
| 23 | [M + H]+ | 580.2903 | 30.42 | HMDB0000241 | Protoporphyrin IX | Porphyrins | 52.8 ± 13.36 | 83.29 ± 27.23 | 83.6 ± 17.09 |
| 24 | [M-H]- | 590.3452 | 31.40 | HMDB0010393 | LysoPC(20:3 (5Z,8Z,11Z)) | Glycerophosphocholines | 538.68 ± 102.74 | 1147.8 ± 540.88 | 641.76 ± 172.82 |
| 25 | [M-H]- | 301.2173 | 31.91 | HMDB0001999 | Eicosapentaenoic acid | Fatty acids and conjugates | 544.35 ± 184.57 | 792.12 ± 227.74 | 701.48 ± 160.08 |
| 26 | [M + H]+ | 506.3587 | 31.92 | HMDB0010408 | LysoPC(P-18:1 (9Z)) | Glycerophosphocholines | 10.66 ± 5.12 | 14.28 ± 3.41 | 17.06 ± 4.18 |
| 27 | [M-H]- | 566.3460 | 32.51 | HMDB0002815 | LysoPC(18:1 (9Z)) | Glycerophosphocholines | 20142.28 ± 5278.28 | 28719.16 ± 6359.02 | 26362.47 ± 3699.74 |
| 28 | [M-H]- | 702.2743 | 32.77 | HMDB0011511 | LysoPE (20:0/0:0) | Glycerophosphoethanolamines | 715.71 ± 179.91 | 1104.04 ± 289.42 | 943.96 ± 103.94 |
| 29 | [M-H]- | 616.3615 | 33.25 | HMDB0010401 | LysoPC(22:4 (7Z,10Z,13Z,16Z)) | Glycerophosphocholines | 463.34 ± 150.55 | 679.36 ± 167.44 | 633.33 ± 172.24 |
| 30 | [M + H]+ | 480.3432 | 33.42 | HMDB0010407 | LysoPC(P-16:0) | Glycerophosphocholines | 44.18 ± 14.19 | 71.23 ± 16.33 | 56.33 ± 14.55 |
| 31 | [M + H]+ | 510.3551 | 33.75 | HMDB0012108 | LysoPC(17:0) | Glycerophosphocholines | 905.64 ± 287.31 | 1438.01 ± 289.73 | 1213.1 ± 210.13 |
| 32 | [M + H]+ | 548.3697 | 33.93 | HMDB0010392 | LysoPC(20:2 (11Z,14Z)) | Glycerophosphocholines | 175.58 ± 63.41 | 404.71 ± 182.36 | 261.16 ± 60.24 |
| 33 | [M + H]+ | 623.4288 | 34.50 | HMDB0013325 | 2-trans,4-cis-Decadienoylcarnitine | Fatty acid esters | 15.91 ± 5.11 | 22.2 ± 6.22 | 24.84 ± 6.89 |
| 34 | [M-H]- | 291.1998 | 34.86 | HMDB0013623 | 12 (13)Ep-9-KODE | Fatty acids and conjugates | 46.88 ± 13.26 | 32.99 ± 5.23 | 34.02 ± 10.02 |
| 35 | [M-H]- | 552.3663 | 34.91 | HMDB0013122 | LysoPC(P-18:0) | Glycerophosphocholines | 537.51 ± 161.74 | 793.06 ± 116.94 | 782.69 ± 193.48 |
| 36 | [M + H]+ | 524.3710 | 36.01 | HMDB0010384 | LysoPC(18:0) | Glycerophosphocholines | 35522.28 ± 7854.5 | 50546.35 ± 7915.08 | 49617.61 ± 8866.77 |
| 37 | [M-H]- | 594.3800 | 36.84 | HMDB0010391 | LysoPC(20:1 (11Z)) | Glycerophosphocholines | 1212.67 ± 400.38 | 2005.37 ± 481.15 | 1455.45 ± 236.22 |
| 38 | [M-H]- | 411.2056 | 37.55 | HMDB0006059 | 20-Carboxy-leukotriene B4 | Eicosanoids | 147.57 ± 15.22 | 174.06 ± 15.07 | 171.12 ± 17.39 |
| 39 | [M-H]- | 620.3923 | 37.93 | HMDB0010400 | LysoPC(22:2 (13Z,16Z)) | Glycerophosphocholines | 23.42 ± 8.52 | 37.89 ± 12.13 | 32.74 ± 6.31 |
| 40 | [M-H]- | 596.3930 | 38.87 | HMDB0010390 | LysoPC(20:0) | Glycerophosphocholines | 312.08 ± 114.88 | 614.38 ± 181.87 | 399.11 ± 72.8 |
| 41 | [M-H]- | 622.4081 | 39.06 | HMDB0010399 | LysoPC(22:1 (13Z)) | Glycerophosphocholines | 86.99 ± 40.07 | 155.56 ± 50.65 | 113.56±23.11 |
| 42 | [M-H]- | 507.2245 | 39.38 | HMDB0010337 | 6-Dehydrotestosterone glucuronide | Pyrimidines and pyrimidine derivatives | 5.55 ± 1.64 | 5.57 ± 1.95 | 9.57 ± 1.94 |
| 43 | [M + H]+ | 780.5528 | 43.51 | HMDB0008016 | PC(16:1 (9Z)/20:4 (8Z,11Z,14Z,17Z)) | Glycerophosphocholines | 2853.88 ± 1148.07 | 6414 ± 3018.85 | 5044.88 ± 1647.11 |
| 44 | [M-H]- | 599.3194 | 45.15 | HMDB0061704 | 2-Stearoylglycerophosphoinositol | Glycerophosphoinositols | 1923.25 ± 485.94 | 3061.53 ± 666.53 | 2457 ± 809.7 |
| 45 | [M + H]+ | 806.5699 | 45.25 | HMDB0007991 | PC(16:0/22:6 (4Z,7Z,10Z,13Z,16Z,19Z)) | Glycerophosphocholines | 29599.38 ± 9681.78 | 32714.71 ± 7074.23 | 44993.5 ± 9870.31 |
| 46 | [M-H]- | 790.5386 | 45.34 | HMDB0007958 | PC(15:0/22:6 (4Z,7Z,10Z,13Z,16Z,19Z)) | Glycerophosphocholines | 198.71 ± 39.23 | 243.58 ± 42.64 | 264.43 ± 44.38 |
| 47 | [M + H]+ | 782.5705 | 45.71 | HMDB0008042 | PC(18:0/18:4 (6Z,9Z,12Z,15Z)) | Glycerophosphocholines | 70381.38 ± 13514.35 | 80288.23 ± 15965.04 | 100437.55 ± 20132.52 |
| 48 | [M + H]+ | 786.5270 | 46.09 | HMDB0012411 | PS(18:3 (9Z,12Z,15Z)/18:0) | Glycerophosphoserines | 410.04 ± 51.82 | 278.76 ± 81.33 | 406.66 ± 68.74 |
| 49 | [ M + H]+ | 808.5844 | 46.26 | HMDB0008115 | PC(18:1 (9Z)/20:4 (8Z,11Z,14Z,17Z)) | Glycerophosphocholines | 6052.53 ± 1304.19 | 11054.46 ± 4142.85 | 8255.37 ± 1481.76 |
| 50 | [M + H]+ | 830.5659 | 46.28 | HMDB0008050 | PC(18:0/20:5 (5Z,8Z,11Z,14Z,17Z)) | Glycerophosphocholines | 535.18 ± 68.47 | 862.25 ± 141.82 | 542.19 ± 55.66 |
| 51 | [M + H]+ | 760.5866 | 48.49 | HMDB0008067 | PC(18:1 (11Z)/16:0) | Glycerophosphocholines | 20305.67 ± 7080.98 | 20275.6 ± 5434.84 | 29901 ± 7099.61 |
| 52 | [M + H]+ | 834.6017 | 48.55 | HMDB0008057 | PC(18:0/22:6 (4Z,7Z,10Z,13Z,16Z,19Z)) | Glycerophosphocholines | 18903.14 ± 3310.73 | 19529.9 ± 4173.04 | 25362.45 ± 5157.02 |
| 53 | [M + H]+ | 858.5982 | 49.93 | HMDB0008055 | PC(18:0/22:5 (4Z,7Z,10Z,13Z,16Z)) | Glycerophosphocholines | 309.83 ± 51.9 | 435.86 ± 86.86 | 363.02 ± 71.74 |
| 54 | [M + H]+ | 812.6180 | 51.01 | HMDB0008047 | PC(18:0/20:3 (8Z,11Z,14Z)) | Glycerophosphocholines | 3228.22 ± 1081.24 | 5436.12 ± 2178.68 | 4828.29 ± 1022.83 |
| 55 | [M-H]- | 637.5871 | 54.29 | HMDB0060059 | CE (17:0) | Steroid esters | 15.61 ± 5.03 | 10.82 ± 2.99 | 11.77 ± 3.49 |
Notes: RT, retention time; CON, control group (n = 9); MOD, model of acute microcirculation dysfunction group (n = 7); CZTL-M, Chuanzhitongluo capsule medium-dose administration group (n = 8).