Table 2.
Candidate biomarker information
| No. | tR/min | m/z | ppm | Metabolites | Formula | Adduct format | Discovery set (SG/G) | ||
|---|---|---|---|---|---|---|---|---|---|
| Obsd. | Calcd | Variance | Fold change | ||||||
| 1 | 0.76 | 148.9352 | 148.9328 | 16.11 | 2,2,2-Trichloroethanol | C2H3Cl3O | M + H | ↑b | 1.14 |
| 2 | 0.91 | 84.0814 | 84.0813 | 1.19 | 1-Methylpyrrolinium | C5H10N | M + H | ↓a | 0.67 |
| 3 | 0.92 | 148.0431 | 148.0432 | 0.68 | Thiomorpholine 3-carboxylate | C5H9NO2S | M + H | ↑b | 1.46 |
| 4 | 2.44 | 171.1129 | 171.115 | 12.27 | 2,4-Dimethyl-1-(1-methylethyl)-benzene | C11H16 | M + Na | ↓a | 0.73 |
| 5 | 4.96 | 715.5158 | 715.5156 | 0.28 | SM (18:0/14:0) | C37H77N2O6P | M + K | ↓b | 0.64 |
| 6 | 6.4 | 508.3767 | 508.3767 | 0 | LysoPC (18:0/0:0) | C26H54NO6P | M + H | ↑b | 1.66 |
| 7 | 8.83 | 814.6362 | 814.6326 | 4.42 | PE-NMe (18:1/22:1) | C46H88NO8P | M + H | ↑b | 1.42 |
| 8 | 9.62 | 812.6004 | 812.5935 | 8.49 | PC (18:0/18:0) | C44H88NO7P | M + K | ↓a | 0.68 |
| 9 | 11.2 | 804.5509 | 804.5519 | 1.24 | PC (18:2/18:2) | C44H80NO8P | M + Na | ↑b | 2.97 |
Abbreviations: G, atherosclerosis index greater than 4; SG, atherosclerosis index of ischemic stroke greater than 4; SM, sphingomyelin.
a Significant difference P less than .05.
b Very significant difference P less than .01.