Table 2.
Summary of metabolites altered in NDD-CKD and all dialysis modalities when compared to control subjects.
| Ion | tR (min) | Mass (m/z) | Empirical Formula | Mass Error (ppm) | Identity | ID Level | p-value | q-value | Change after Kidney Donation | Transplant change compared to Control | CKD and Dialysis change compared to Control | CKD and Dialysis change compared to Transplant | Levels Pre vs Post Dialysis | |||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Conven-tional HD | NIPD | Frequent Nocturnal HHD | Short Daily HHD | Intermittent Conventional HHD | Intermittent Nocturnal HHD | |||||||||||||
| A1 | 0.94 | 204.1233 | C9H17NO4[H−] | 1.5 | Acetylcarnitine | 2 | 1.53E-11 | 7.91E-11 | ↓ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | |||
| A2 | 1.14 | 326.0876 | C14H16NO8[H−] | 0.0 | Acetaminophen Glucuronide | 1 | 1.05E-08 | 4.16E-08 | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ||
| B1 | 2.28 | 585.2707 | C33H36N4O6[H−] | −1.0 | Bilirubin | 1 | 9.53E-04 | 2.12E-03 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ |
| B2 | 2.67 | 481.2434 | C25H37O9[H−] | −0.7 | Hydroxyandro-sterone-glucuronide | 3 | 3.32E-14 | 2.12E-13 | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ||||
| B3 | 1.28 | 232.1545 | C11H22NO4[H+] | −1.7 | Butyryl-L-Carnitine | 2 | 3.18E-13 | 2.11E-12 | ↑ | ↑ | ↑ | ↑ | ↑ | |||||
| C1 | 0.55 | 114.0665 | C4H6N3O[H−] | −1.8 | Creatinine | 1 | 1.03E-18 | 8.76E-17 | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ||
| C2 | 0.53 | 162.1126 | C7H16NO3[H+] | −2.5 | L-Carnitine | 1 | 2.07E-17 | 5.85E-16 | ↓ | |||||||||
| C3 | 2.47 | 239.0917 | C12H15O5[H−] | −1.3 | CMPF | 1 | 1.28E-02 | 2.27E-02 | ↑ | |||||||||
| D1 | 2.22 | 314.2325 | C17H32NO4[H+] | −1.9 | Decenoylcarnitine | 2 | 1.34E-05 | 3.61E-05 | ↓ | ↑ | ↑ | ↑ | ↑ | ↑ | ||||
| D2 | 2.30 | 230.9964 | C8H7O6S[H−] | 0.0 | Dihydroxyaceto-phenone Sulfate | 3 | 7.04E-15 | 5.43E-14 | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ||
| D3 | 6.44 | 327.2321 | C22H31O2[H−] | −0.9 | Docosahexaenoic Acid (DHA) | 1 | 1.21E-07 | 4.10E-07 | ↓ | ↓ | ||||||||
| D4 | 2.55 | 367.1577 | C19H27O5S[H−] | −0.5 | Dehydroisoandro-sterone sulfate | 3 | 3.28E-05 | 8.56E-05 | ||||||||||
| D5 | 2.71 | 195.0516 | C7H7NO4O3[H+] | −1.0 | Dimethyluric acid | 1 | 3.42E-07 | 8.62E-07 | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | |||
| E1 | 3.82 | 426.3576 | C25H47NO4[H−] | 0.0 | Elaidic carnitine | 2 | 8.60E-03 | 1.58E-02 | ↓ | |||||||||
| G1 | 2.08 | 226.0172 | C5H9NO7P[H−] | 24.3 | Glutamyl phosphate | 2 | 2.03E-06 | 4.85E-06 | ↑ | |||||||||
| H1 | 1.60 | 178.0503 | C9H8NO3[H−] | 0.6 | Hippuric Acid | 1 | 2.61E-14 | 1.73E-13 | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | |||
| H2 | 1.04 | 137.0460 | C5H3N4O[H−] | 0 | Hypoxanthine | 1 | 1.80E-11 | 9.24E-11 | ↓ | ↑ | ↑ | |||||||
| H3 | 1.18 | 227.9964 | C8H6NO5S[H−] | −1.3 | 5-Hydroxy-6-indolyl-O-sulfate | 2 | 1.29E-13 | 9.34E-13 | ↑ | ↑ | ||||||||
| H4 | 1.22 | 246.007 | C8H8NO6S[H−] | −1.2 | Hydroxy acetami-nophen sulfate | 2 | 2.26E-09 | 9.62E-09 | ↑ | ↑ | ↑ | ↑ | ↑ | |||||
| I1 | 1.71 | 212.0018 | C8H6NO4S[H−] | 0 | Indoxyl Sulfate | 1 | 4.18E-16 | 6.28E-15 | ↑ | ↑ | ↑ | |||||||
| M1 | 1.09 | 181.0359 | C6H5N4O3[H−] | −1.7 | 1-Methyluric Acid | 1 | 1.21E-13 | 8.82E-13 | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | |||
| M2 | 2.91 | 290.1600 | C13H23NO6[H+] | −1.0 | 3-Methylglutary-lcarnitine | 2 | 1.37E-16 | 2.32E-15 | ↑ | ↑ | ||||||||
| M3 | 4.98 | 170.0928 | C7H12N3O2[H+] | −0.6 | 1-Methylhistidine | 1 | 2.87E-15 | 2.55E-14 | ↑ | ↑ | ↑ | |||||||
| M4 | 1.95 | 495.1500 | C23H27O12[H−] | −0.6 | Mycophenolic Acid Glucuronide | 2 | 2.17E-06 | 6.42E-06 | ↑ | |||||||||
| M5 | 2.64 | 319.1181 | C17H19O6[H−] | −0.3 | Mycophenolic acid | 2 | 1.68E-14 | 1.17E-13 | ↑ | |||||||||
| N1 | 1.09 | 153.0660 | C7H9N2O2[H+] | 0.0 | 2-PY | 1 | 2.06E-16 | 3.59E-15 | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | |||
| N2 | 2.03 | 294.0548 | C12H12N3O4S[H−] | −0.3 | N4-Acetylsulfa-methoxazole | 1 | 4.15E-09 | 1.71E-08 | ↑ | |||||||||
| N3 | 1.05 | 229.1549 | C11H21N2O3[H+] | −1.3 | N,N,N-trimethyl-L-alanyl-L-proline (TMAP) | 1 | 6.06E-19 | 6.53E-17 | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | |
| O1 | 1.98 | 310.2012 | C15H29NO4[Na+] | 5.5 | Octanoyl Carnitine | 1 | 1.02E-13 | 7.51E-13 | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ||
| O2 | 1.06 | 260.0228 | C9H10NO6S[H−] | −0.4 | O-Sulfo-L-Tyrosine | 1 | 1.67E-18 | 9.93E-17 | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | |||
| O3 | 0.67 | 203.0014 | C7H7O5S[H−] | 1.5 | O-methoxy-catechol-O-sulfate | 3 | 3.57E-09 | 1.07E-08 | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | |||
| P1 | 1.67 | 283.0822 | C13H15O7[H−] | 1.4 | P-Cresyl Glucuronide | 1 | 8.58E-12 | 4.60E-11 | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ||||
| P2 | 1.79 | 187.0066 | C7H7O4S[H−] | 0.5 | P-Cresyl Sulfate | 1 | 2.22E-08 | 8.38E-08 | ↑ | ↑ | ↑ | |||||||
| P3 | 3.71 | 144.1025 | C7H14NO2[H+] | 0.7 | Proline Betaine | 1 | 2.00E-06 | 4.79E-06 | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | |||
| P4 | 1.63 | 172.9908 | C6H5O4S[H−] | 0.6 | Phenyl Sulfate | 1 | 4.97E-13 | 3.15E-12 | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | |||
| P5 | 1.57 | 263.1033 | C13H15N2O4[H−] | 0.4 | Phenylacety-lglutamine | 1 | 7.18E-18 | 2.66E-16 | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ |
| P6 | 1.59 | 188.9856 | C6H5O5S[H−] | −1.1 | Pyrocatechol Sulfate | 1 | 1.55E-13 | 1.11E-12 | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | |
| S1 | 1.31 | 216.9806 | C7H5O6S[H−] | −0.5 | 5-Sulfosalicylic Acid | 2 | 1.40E-14 | 1.21E-13 | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ||
| S2 | 2.02 | 254.0598 | C10H12N3O3S[H+] | −0.4 | Sulfamethoxazole | 1 | 1.43E-04 | 3.50E-04 | ↑ | |||||||||
| T1 | 2.65 | 498.2884 | C26H44NO6S[H−] | −2.2 | Taurodeoxy (cheno)cholic Acid | 2 | 1.96E-03 | 4.11E-03 | ↓ | ↑ | ||||||||
| T2 | 2.15 | 514.2833 | C26H44NO7S[H−] | 1.6 | Taurocholic Acid | 1 | 3.44E-03 | 7.02E-03 | ||||||||||
| T3 | 1.49 | 291.1454 | C14H19N4O3[H+] | −1.0 | Trimethoprim | 1 | 3.82E-10 | 1.75E-09 | ↑ | |||||||||
| U1 | 2.88 | 379.0334 | C10H12N4O10P[H−] | 11.3 | Urate D-Ribonu-cleotide | 2 | 1.68E-14 | 1.17E-13 | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ||||
| U2 | 3.86 | 167.0203 | C5H3N4O3[H−] | −1.2 | Uric Acid | 1 | 4.43E-10 | 1.46E-09 | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ||||
| U3 | 3.56 | 243.0616 | C9H12HNO6[H−] | −0.4 | Uridine | 1 | 4.88E-16 | 6.05E-15 | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ↑ | ||