Table 2.
Identified metabolites that were significantly different between low- and high-area under the curve (AUC) groups.
| Metabolites | Ion mode | Mass (m/z) | RT (min) | P (Loadings) | P (correlation) | VIP | Concentration (μg/mg creatinine, mean ± SD) | Low vs High (p value)† | Trend test (p value)‡ | ||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Low | Medium | High | |||||||||
| Carnitine C9:1 | ESI+ | 300.2180* | 10.45 | −0.07 | −0.80 | 2.36 | 0.34 ± 0.25 | 0.29 ± 0.22 | 0.13 ± 0.06 | 0.006 | 0.004 |
| Carnitine C12:1-OH | ESI+ | 358.2590* | 12.06 | −0.10 | −0.74 | 3.59 | 6.51 ± 3.18 | 6.80 ± 6.54 | 3.15 ± 1.65 | 0.059 | 0.019 |
| PAGN | ESI− | 263.1032* | 4.60 | −0.30 | −0.65 | 4.76 | 103.96 ± 56.12 | 82.67 ± 80.90 | 57.45 ± 48.93 | 0.059 | 0.065 |
| ESI− | 145.0613 | 4.60 | −0.25 | −0.64 | 4.10 | ||||||
| ESI− | 549.1961 | 4.60 | −0.12 | −0.60 | 1.87 | ||||||
| Deferoxamine-derived metabolites | ESI + | 629.2350 | 6.50 | 0.29 | 0.78 | 9.67 | |||||
| ESI− | 574.3083 | 9.87 | 0.50 | 0.62 | 7.73 | ||||||
| ESI+ | 614.2720 | 4.20 | 0.19 | 0.69 | 7.08 | ||||||
| ESI+ | 598.3060 | 9.87 | 0.17 | 0.60 | 6.41 | ||||||
| ESI+ | 401.2390 | 7.86 | 0.16 | 0.69 | 5.56 | ||||||
| ESI+ | 561.3600 | 7.90 | 0.13 | 0.30 | 4.95 | ||||||
| ESI− | 399.2237 | 7.86 | 0.33 | 0.67 | 4.21 | ||||||
| ESI+ | 601.2040 | 5.33 | 0.11 | 0.65 | 4.17 | ||||||
| ESI+ | 651.2180 | 6.49 | 0.12 | 0.77 | 3.87 | ||||||
| ESI+ | 483.2430 | 8.50 | 0.10 | 0.63 | 3.83 | ||||||
| ESI+ | 522.2900 | 7.74 | 0.10 | 0.66 | 3.40 | ||||||
| ESI− | 546.2764 | 8.98 | 0.22 | 0.58 | 3.34 | ||||||
| ESI− | 459.2447 | 8.48 | 0.20 | 0.62 | 3.20 | ||||||
| ESI+ | 201.1240 | 7.87 | 0.09 | 0.65 | 3.11 | ||||||
| ESI− | 596.2913 | 9.86 | 0.13 | 0.63 | 1.96 | ||||||
| ESI− | 498.2924 | 7.73 | 0.10 | 0.68 | 1.32 | ||||||
*Adducts of [M + H] + or [M − H]- for quantification, †Kruskal Wallis test followed by Mann-Whitney test (Significance was adjusted by Bonferroni’s method, P < 0.017), ‡Jonckheere-Terpstra trend test (P < 0.05); PAGN, phenylacetylglutamine; RT, real time; VIP, variable importance in the projection.