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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
  1. RT retention time, VIP variable importance in the projection