Table 3 Detailed information of top 20a perturbed metabolites among different comparison group
Metabolites | m/z | Retention time (min) | Detection mode | (NC vs OPD) | (NC vs OPD') | (OPD vs OPD') | |||
|---|---|---|---|---|---|---|---|---|---|
VIP | FC | VIP | FC | VIP | FC | ||||
LysoPC (18:1(9Z))b | 522.3554 | 10.4072 | Positive | 40.29 | 1.23 | 42.27 | 1.22 | / | / |
PC(16:0/0:0)[U] / PC(16:0/0:0)b | 496.3396 | 9.8993 | Positive | / | / | 22.25 | 1.13 | / | / |
Cholic acidb | 815.5688 | 8.2063 | Negative | / | / | / | / | 28.13 | 1.72 |
(R)-Butaprost | 834.6078 | 8.2002 | Positive | / | / | / | / | 20.9 | 1.55 |
PC (14:0/0:0)b | 468.3084 | 9.0744 | Positive | 17.68 | 1.95 | 13.98 | 1.48 | 6.50 | 0.76 |
LysoPC (16:1(9Z)/0:0)b | 538.3154 | 9.3950 | Negative | 14.43 | 1.92 | 11.36 | 1.41 | 7.53 | 0.74 |
LysoPC (20:2(11Z,14Z))b | 548.3709 | 10.6952 | Positive | 14.12 | 1.30 | 16.65 | 1.34 | / | / |
LysoPC (20:1(11Z))b | 550.3865 | 11.3843 | Positive | 12.81 | 1.22 | 16.56 | 1.32 | / | / |
1-heptadecanoyl-sn-glycero-3-phosphocholineb | 510.3555 | 10.6233 | Positive | / | / | 15.9 | 1.15 | / | / |
LysoPC(16:0)b | 540.3312 | 9.8953 | Negative | / | / | 11.4 | 1.14 | / | / |
3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid | 373.2735 | 8.2002 | Positive | 12.72 | 0.73 | / | / | 20.47 | 1.53 |
LysoPC (22:5(7Z,10Z,13Z,16Z,19Z))b | 570.3551 | 10.0146 | Positive | 12.70 | 1.36 | 8.09 | 1.29 | / | / |
15-hydroxy-tetracosa-6,9,12,16,18-pentaenoic acid | 357.2785 | 9.3971 | Positive | 11.09 | 0.56 | / | / | / | / |
Sulfolithocholylglycine | 512.2690 | 6.0969 | Negative | / | / | / | / | 9.80 | 1.74 |
LysoPC (20:3(5Z,8Z,11Z))b | 590.3467 | 10.1463 | Negative | 10.17 | 1.46 | 8.86 | 1.3 | / | / |
PC (17:1(10Z)/0:0)b | 508.3393 | 9.8993 | Positive | 9.18 | 1.67 | 7.65 | 1.37 | 3.54 | 0.82 |
(22E)-3beta-Hydroxy-5alpha-chola-7,22-dien-24-oic Acid | 373.2735 | 7.4742 | Positive | 9.18 | 0.57 | / | / | 14.6 | 2.12 |
LysoPC (14:0/0:0)b | 512.2997 | 9.0829 | Negative | 8.99 | 1.99 | 6.92 | 1.47 | 4.15 | 0.74 |
PC (19:1(9Z)/0:0)b | 536.3708 | 10.8693 | Positive | 8.90 | 1.61 | 8.55 | 1.51 | / | / |
Isocitrate | 191.0189 | 0.7660 | Negative | 8.35 | 1.74 | / | / | / | / |
PC(O-18:1(11Z)/0:0)b | 508.3762 | 10.7094 | Positive | 8.22 | 0.79 | / | / | / | / |
LysoPC (17:0)b | 554.3466 | 10.6250 | Negative | 7.90 | 1.14 | 10.33 | 1.21 | / | / |
3alpha,7alpha,12alpha-Trihydroxy-5alpha-cholan-24-al | 783.5790 | 9.3950 | Negative | 7.50 | 0.50 | / | / | / | / |
2-Hydroxycinnamic acid | 182.0810 | 1.1162 | Positive | 6.38 | 1.16 | 8.68 | 1.22 | / | / |
Avicholic acid | 391.2840 | 7.6371 | Positive | 5.47 | 0.58 | / | / | 3.91 | 1.42 |
LysoPC (20:5(5Z,8Z,11Z,14Z,17Z))b | 586.3156 | 9.2737 | Negative | 4.98 | 1.41 | / | / | 4.66 | 0.78 |
3alpha,9alpha,11beta-Trihydroxy-5beta-cholan-24-oic Acid | 391.2840 | 7.4742 | Positive | / | / | / | / | 5.62 | 2.17 |
PC(16:0/18:2(9Z,12Z))b | 780.5518 | 13.6416 | Positive | / | / | 6.42 | 0.68 | / | / |
4-methoxy-1-benzofuran-6-ol | 182.0811 | 0.7787 | Positive | / | / | 4.76 | 1.42 | / | / |
Scyphostatin A | 512.3348 | 9.2759 | Positive | / | / | 4.68 | 1.48 | / | / |
p-Cresol sulfate | 187.0062 | 4.5210 | Negative | / | / | 4.37 | 0.31 | / | / |
L-Carnitine | 162.1123 | 0.7510 | Positive | / | / | 4.16 | 0.75 | / | / |
2-Hydroxy-3-methoxyestrone | 424.3418 | 9.6654 | Positive | / | / | / | / | 4.68 | 1.36 |
LysoPC(P-18:0)b | 552.3678 | 10.7062 | Negative | / | / | / | / | 4.48 | 1.22 |
Diosgenin | 397.3101 | 9.9280 | Positive | / | / | / | / | 3.81 | 0.56 |
21-Deoxycortisol | 347.2216 | 7.2521 | Positive | / | / | / | / | 3.60 | 1.19 |
12-Hydroxy-12-octadecanoylcarnitine | 426.3573 | 10.1025 | Positive | / | / | / | / | 3.44 | 1.40 |
3alpha,12beta-Dihydroxy-11-oxo-5beta-cholan-24-oic Acid | 424.3056 | 8.1553 | Positive | / | / | / | / | 3.19 | 1.74 |
Americine | 584.2627 | 13.9012 | Positive | / | / | / | / | 2.97 | 1.89 |
LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0) b | 502.2926 | 9.7375 | Positive | / | / | / | / | 2.92 | 1.23 |