Table 2 Baseline plasma metabolites most strongly correlated with response to TNF antagonists using partial least-squares regression and ANOVA (VIP >1 with p < 0.1 and VIP >1.5 with p < 0.05)
From: Variations in the metabolome in response to disease activity of rheumatoid arthritis
Ion mass (Da) | RT (min) | Formula |
|---|---|---|
Positive-mode analysis | ||
 181.070 | 5.2 | C6H12O6, C42H44FeN8O8S2R4, C6H11O6R, CH2NOR, NH2R, C10H17O10PR2, C5H9O5R, C38H37FeN6O6SR2, C7H8N4O2, |
 224.129 | 4.2 | C12H17NO3 |
 268.148 | 12.7 | C16H17N3O |
 460.293 | 6.0 | C29H37N3O2 |
 481.350 | 13.2 | C28H48O6 |
 482.359 | 13.3 | C24H52NO6P |
 583.257 | 9.9 | C33H34N4O6 |
Negative-mode analysis | ||
 115.038 | 4.6 | C5H8O3 |
 128.033 | 1.4 | C5H7NO3, C5H12O12P3R |
 181.054 | 5.5 | C9H10O4 |
 203.022 | 0.9 | C7H8O7, C6H10NO3SR, C12H9ClO |
 221.156 | 12.9 | C14H22O2 |
 249.115 | 10.3 | C14H18O4 |
 281.249 | 16.3 | C18H34O2 |
 285.183 | 7.8 | C19H26O2, C14H26N2O4, C19H37N5O7 |
 313.067 | 1.2 | C17H14O6 |
 335.223 | 11.3 | C20H32O4, C10H18O13P2R2, C20H34NO15R, C6H13NO7PR, C7H13NO9PR, C10H15NO11PR3, C4H7O7PR2, |
 341.111 | 1.3 | C12H22O11, C24H39N7O18P3SR, C27H40N10O23P4R, C10H14N5O8P, C17H24N5O10P, C8H6NO3R, NH2R |
 425.289 | 6.7 | C20H38N6O4 |
 466.296 | 12.0 | C29H41NO4 |
 87.009 | 1.3 | C3H4O3 |