Table 3.
Metabolites different between OSCC and HC
| ID | Name | Formula | Molecular | RT (min) | VIP | P | FC | AUC | FDR |
|---|---|---|---|---|---|---|---|---|---|
| 1 | Uridine | C9H12N2O6 | 244.06227 | 1.00 | 1.028 | 1.02E-10 | 0.718 | 0.882 | 8.53E-10 |
| 2 | Chiro-inositol | C6H12O6 | 180.05553 | 1.01 | 1.283 | 0.027 | 1.093 | 0.742 | 0.049 |
| 3 | Lactate | C3H6O3 | 90.02322 | 1.01 | 1.158 | 0.026 | 1.089 | 0.632 | 0.047 |
| 4 | Taurine | C2H7NO3S | 125.00639 | 1.01 | 1.906 | 3.35E-13 | 0.662 | 0.906 | 4.07E-12 |
| 5 | Glutamate | C5H9NO4 | 147.04501 | 1.02 | 1.907 | 1.96E-13 | 0.650 | 0.912 | 2.52E-12 |
| 6 | Uric acid | C5H4N4O3 | 168.02017 | 1.02 | 2.858 | 8.53E-10 | 0.882 | 0.620 | 0.021 |
| 7 | Acetylcarnitine | C9H17NO4 | 204.12285 | 1.02 | 1.662 | 1.23E-05 | 0.682 | 0.774 | 2.9E-03 |
| 8 | Citric acid | C6H8O7 | 192.01939 | 1.27 | 3.304 | 1.37E-08 | 0.616 | 0.872 | 8.67E-07 |
| 9 | Phenylalanine | C9H11NO2 | 165.08591 | 2.10 | 2.277 | 3.10E-05 | 0.784 | 0.785 | 0.003 |
| 10 | Octanoylcarnitine | C15H29NO4 | 287.21661 | 5.50 | 1.003 | 1.52E-06 | 0.671 | 0.801 | 7.67E-06 |
| 11 | Glycocholic acid | C26H43NO6 | 465.30295 | 6.21 | 1.333 | 9.60E-05 | 2.588 | 0.779 | 3.27 E-04 |
| 12 | Decanoylcarnitine | C17H33NO4 | 315.24823 | 6.25 | 1.033 | 9.68E-06 | 0.604 | 0.812 | 3.54E-05 |
| 13 | Cholic acid | C24H40O5 | 408.28140 | 6.80 | 2.060 | 0.010 | 4.751 | 0.779 | 0.021 |
| 14 | Glycoursodeoxycholic acid | C26H43NO5 | 449.30765 | 6.93 | 2.325 | 0.004 | 1.763 | 0.726 | 0.009 |
| 15 | N-Succinyl-2,6-diaminoheptanedioate | C11H18N2O7 | 289.10617 | 7.20 | 1.788 | 5.92E-12 | 0.485 | 0.899 | 6.01E-11 |
| 16 | 16-HETE | C20H32O3 | 320.25098 | 8.03 | 1.016 | 8.12E-13 | 0.393 | 0.810 | 7.50E-06 |
| 17 | LysoPC(16:0) | C24H50NO7P | 495.33951 | 8.68 | 12.443 | 1.81E-20 | 0.565 | 0.970 | 1.19E-17 |
| 18 | LysoPC(18:1) | C26H52NO7P | 521.35571 | 8.87 | 11.090 | 4.10E-19 | 0.663 | 0.950 | 6.38E-19 |
| 19 | 9,10-Epoxyoctadecenoic acid | C18H32O3 | 296.22832 | 9.22 | 3.145 | 0.002 | 0.660 | 0.706 | 0.008 |
| 20 | Arachidonic acid | C20H32O2 | 304.23315 | 10.03 | 5.301 | 6.77E-09 | 0.635 | 0.845 | 4.45E-08 |
| 21 | Oleamide | C18H35NO | 281.27872 | 10.14 | 2.071 | 3.50E-23 | 0.092 | 0.502 | 4.01E-05 |
OSCC, oral squamous cell carcinoma; HC, healthy control; FC, fold change; RT, retention time; VIP, variable importance in projection; FC, fold change; AUC, area under curve; FDR, false discovery rate, calculation based on Benjamini and Hochberg.