Metabolite Identity
ID Level
Chemical Formula
Observed m/z
tR (min)
Sample Type
Change in AKI Patients vs. No AKI Patients
Change in AKI Patients vs. No AKI Patients
Change in AKI Patients vs. No AKI Patients
Change in AKI Patients vs. No AKI Patients
Change in AKI Patients vs. No AKI Patients
Change in AKI Patients vs. No AKI Patients
Change in AKI Patients vs. No AKI Patients
Change in AKI Patients vs. No AKI Patients
Change in AKI Patients vs. No AKI Patients
Pre Pre Pre 24-48 hours 24-48 hours 24-48 hours Post Post Post
Direction Fold p Direction Fold p Direction Fold p
Aminoisobutanoate (NPH) 1 C4H9NO2 + C6H5N3O [M-H] 237.0987 1.44 Serum - - - - - - - - -
Urine 2.08 0.7735 3.58 0.1717 4.69 0.0115
Betaine 1 C5H11NO2 [M+H] 118.0863 0.62 Serum 1.08 1.0000 1.22 0.1569 1.12 0.7524
Urine 1.21 0.5552 1.79 0.1653 2.67 0.0001
Creatinine 1 C4H7N3O [M+H] 114.0664 0.61 Serum 1.14 0.5215 1.16 0.4374 1.81 4.16E-06
Urine - - - - - - - - -
Glutamine (fragment) 1 C5H7NO3 [M+H] 130.0499 0.56 Serum 1.32 0.4544 1.13 1.0000 1.55 0.0179
Urine 1.38 0.6298 1.17 0.3192 1.98 0.0231
Glycine (PITC) 1 C2H5NO2 + C7H5NS [M+H] 211.0542 1.94 Serum 1.09 1 1.45 0.4264 1.51 1.0000
Urine 2.22 0.0412 1.99 0.1871 2.55 0.0369
Glyocolate (NPH) 1 C2H4O3 + C6H5N3O [M-H] 210.0514 1.74 Serum 1.04 1.0000 1.23 0.7735 1.47 0.3539
Urine 1.59 0.0829 1.27 0.2142 2.71 4.12E-05
Hippuric acid sulfate
2
C9H9NO6S [M-H]
258.0072
1.36
Serum
-
-
-
-
-
-
-
-
-
Urine 8.85 0.0437 9.08 0.0071 1.82 0.9553
Histidine
1
C6H9N3O2 [M-H]
154.0616
0.53
Serum
-
-
-
-
-
-
-
-
-
Urine 1.44 0.2450 1.48 0.0418 2.63 0.0089
3-Hydroxydecan edioc acid
1
C10H18O5 + C6H5N3O [M-H]
217.1075
1.76
Serum
-
-
-
-
-
-
-
-
Urine 3.62 0.0305 1.98 0.0984 1.90 0.3837
Indole-3-acetate (NPH) 1 C10H9NO2 + C6H5N3O [M-H] 309.0987 2.55 Serum - - - - - - - - -
Urine 1.77 0.0549 1.91 0.1226 4.03 0.0067
Indoxyl sulfate
1
C8H7NO4S [M-H]
212.0017
1.87
Serum
1.16
1.0000
1.68
0.3071
2.87
9.71E-05
Urine 1.75 0.3584 1.54 0.5244 1.11 0.3951
Linolenic acid 3 C18H30O2 [M+H] 279.2319 4.36 Serum 1.60 0.3398 1.40 1.0000 1.97 0.0428
Urine - - - - - - - - -
L-Octanoylcarni tine
1
C15H29NO4 [M+Na]
310.2015
2.00
Serum
1.29
0.5105
1.14
0.5053
2.46
4.87E-05
Urine 1.31 0.2154 1.08 1.000 1.79 0.0979
2-Octenoylcarni tine
2
C15H27NO4 [M+H]
286.2016
1.88
Serum
1.40
0.4940
1.18
0.6974
2.09
0.0080
Urine 1.10 0.9346 1.07 1.0000 2.47 0.0250
Serine (PITC) 1 C3H7NO3 + C7H5NS [M+H] 241.0647 1.86 Serum - - - - - - - - -
Urine 1.39 0.2089 1.37 0.6135 2.80 0.0176
Suberate (NPH) 1 C8H14O4 + C6H5N3O [M-H] 443.1676 2.59 Serum - - - - - - - - -
Urine 1.91 0.0395 1.82 0.0673 1.05 1.0000
Taurine
1
C2H7NO3S [M-H]
124.006
0.57
Serum
-
-
-
-
-
-
-
-
-
Urine 1.16 1.0000 1.07 0.5806 2.56 0.0023
Threonine (PITC) 1 C4H9NO3 + C7H5NS [M+H] 255.0803 1.86 Serum - - - - - - - - -
Urine 1.03 0.2927 1.35 0.7733 2.90 0.0201
TMAP 1 C11H20N2O3 [M+H] 229.1554 1.15 Serum 1.58 1.0000 1.30 0.1353 1.87 0.0195
Urine 1.23 0.9216 1.11 1.000 1.27 0.4621
Tyramine (PITC) 1 C8H11NO + C7H5NS [M+H] 273.1061 2.52 Serum - - - - - - - - -
Urine 1.05 1.0000 1.45 0.0521 2.87 2.38E-07