| HILIC/ESI+ mode |
| HMDB0034301 |
Piperidine |
3.75E-04 |
1.314 |
9.506 |
| HMDB0000112 |
Gamma-Aminobutyric acid |
9.47E-06 |
2.209 |
0.614 |
| HMDB0000097 |
Choline |
3.51E-05 |
1.914 |
0.730 |
| HMDB0000187 |
L-Serine |
2.59E-06 |
2.177 |
0.689 |
| HMDB0004437 |
Diethanolamine |
2.11E-04 |
1.427 |
1.837 |
| HMDB0003905 |
Imidazole-4-acetaldehyde |
2.57E-02 |
1.373 |
0.665 |
| HMDB0000870 |
Histamine |
1.26E-04 |
1.558 |
0.677 |
| HMDB0062558 |
pyroglutamine |
2.18E-06 |
1.637 |
3.131 |
| HMDB0013704 |
6-Methylnicotinamide |
8.85E-03 |
1.878 |
0.374 |
| HMDB0003464 |
4-Guanidinobutanoic acid |
7.29E-05 |
1.991 |
0.703 |
| HMDB0000895 |
Acetylcholine |
2.85E-02 |
1.159 |
1.381 |
| HMDB0000897 |
7-Methylguanine |
1.60E-03 |
1.34 |
1.240 |
| HMDB0004225 |
2-Oxoarginine |
4.50E-04 |
1.762 |
0.681 |
| HMDB0000517 |
L-arginine |
4.41E-02 |
1.025 |
0.817 |
| HMDB0003157 |
Guanidinosuccinic acid |
5.78E-03 |
1.064 |
2.910 |
| HMDB0002189 |
N8-Acetylspermidine |
4.54E-02 |
1.001 |
1.293 |
| HMDB0000679 |
Homocitrulline |
1.81E-03 |
1.093 |
2.446 |
| HMDB0011667 |
5-L-Glutamylglycine |
1.13E-02 |
1.228 |
0.621 |
| HMDB0000684 |
L-Kynurenine |
1.55E-03 |
1.220 |
1.311 |
| HMDB0003764 |
Glutamylalanine |
3.66E-02 |
1.406 |
0.549 |
| HMDB0000014 |
Deoxycytidine |
3.20E-02 |
1.39 |
0.702 |
| HMDB0031701 |
1-(gamma-Glutamylamino)cyclopropanecarboxylic acid |
4.82E-03 |
1.031 |
1.595 |
| HMDB0014426 |
Lidocaine |
4.50E-05 |
1.493 |
1199.596 |
| HMDB0028732 |
Asparaginyl-Hydroxyproline |
3.38E-04 |
1.296 |
6.536 |
| HMDB0000497 |
5,6-Dihydrouridine |
2.34E-02 |
1.039 |
3.015 |
| HMDB0013133 |
Methylmalonylcarnitine |
3.02E-02 |
1.034 |
1.439 |
| HMDB0037842 |
N-(1-Deoxy-1-fructosyl) serine |
1.45E-02 |
1.368 |
0.618 |
| HMDB0000133 |
Guanosine |
2.67E-04 |
1.287 |
7.641 |
| HMDB0000552 |
3-Methylglutarylcarnitine |
2.36E-02 |
1.046 |
2.026 |
| HMDB0029119 |
Tyrosyl-Gamma-glutamate |
1.81E-03 |
1.428 |
1.716 |
| HMDB0000791 |
L-Octanoylcarnitine |
1.10E-03 |
1.316 |
1.602 |
| HMDB0028896 |
Histidinyl-Tryptophan |
6.38E-03 |
2.058 |
0.053 |
| HILIC/ESI− mode |
| HMDB0003355 |
5-Aminovaleric acid |
1.03E-03 |
1.660 |
0.793 |
| HMDB0003640 |
DL-β-Leucine |
5.25E-06 |
1.862 |
0.705 |
| HMDB0000930 |
trans-Cinnamic acid |
3.43E-05 |
1.990 |
0.671 |
| HMDB0003412 |
L-Histidine |
4.12E-05 |
2.091 |
0.589 |
| HMDB0000543 |
4-Phenylbutyric acid |
4.96E-06 |
2.772 |
0.072 |
| HMDB0000159 |
L-Phenylalanine |
4.15E-05 |
1.993 |
0.678 |
| HMDB0003357 |
N-Acetylornithine |
5.34E-05 |
2.662 |
0.097 |
| HMDB0000517 |
DL-arginine |
9.51E-03 |
1.257 |
0.672 |
| HMDB0012326 |
Hexose |
7.38E-04 |
1.202 |
1.348 |
| HMDB0061890 |
Pyroglutamylglycine |
2.70E-03 |
2.198 |
0.166 |
| HMDB0000127 |
D-Glucuronic acid |
1.29E-02 |
1.203 |
1.561 |
| HMDB0035484 |
3-(3,4-Dihydroxy-5-methoxy)-2-propenoic acid |
2.35E-06 |
2.263 |
0.490 |
| HMDB0000806 |
Myristic acid |
2.46E-02 |
1.648 |
0.478 |
| HMDB0031701 |
1-(gamma-Glutamylamino)cyclopropanecarboxylic acid |
6.48E-04 |
1.992 |
0.505 |
| HMDB0003229 |
Palmitoleic acid |
2.52E-03 |
1.708 |
0.435 |
| HMDB0062550 |
2-methoxyacetaminophen sulfate |
8.87E-03 |
1.072 |
1.650 |
| HMDB0000830 |
Neuraminic acid |
1.73E-02 |
1.288 |
0.598 |
| HMDB0005766 |
Norophthalmic acid |
1.48E-02 |
1.579 |
0.570 |
| HMDB0000673 |
Linoleic acid |
1.28E-03 |
1.527 |
0.576 |
| HMDB0001043 |
Arachidonic acid |
3.09E-06 |
2.448 |
0.456 |
| HMDB0002759 |
Androsterone sulfate |
1.24E-02 |
1.854 |
0.258 |
| HMDB0010320 |
Cortolone-3-glucuronide |
1.45E-03 |
1.248 |
2.002 |
| RPLC/ESI+ mode |
| HMDB0000097 |
Choline |
1.31E-08 |
2.053 |
0.651 |
| HMDB0000687 |
L-Leucine |
5.03E-04 |
1.526 |
0.787 |
| HMDB0000062 |
L-Carnitine |
3.36E-03 |
1.058 |
1.688 |
| HMDB0000159 |
L-Phenylalanine |
1.22E-04 |
1.883 |
0.726 |
| HMDB0000289 |
Uric acid |
2.24E-04 |
1.776 |
2.369 |
| HMDB0000517 |
L-arginine |
4.75E-03 |
1.310 |
0.749 |
| HMDB0000197 |
Indoleacetic acid |
7.42E-03 |
1.144 |
1.522 |
| HMDB0000201 |
Acetyl-L-carnitine |
1.34E-05 |
1.459 |
3.748 |
| HMDB0000684 |
L-Kynurenine |
2.44E-02 |
1.022 |
1.207 |
| HMDB0013687 |
Nootkatone |
6.01E-04 |
1.213 |
1.388 |
| HMDB0011174 |
Prolylleucine |
6.90E-03 |
1.050 |
1.274 |
| HMDB0014426 |
Lidocaine |
3.55E-04 |
1.301 |
341.937 |
| HMDB0013133 |
Methylmalonylcarnitine |
1.57E-04 |
1.508 |
2.507 |
| HMDB0029586 |
Octadecanamine |
6.81E-03 |
1.208 |
1.057 |
| HMDB0013130 |
Glutarylcarnitine |
1.52E-03 |
1.436 |
2.394 |
| HMDB0000706 |
L-Aspartyl-L-phenylalanine |
5.19E-07 |
2.225 |
0.272 |
| HMDB0037840 |
N-(1-Deoxy-1-fructosyl) leucine |
1.77E-03 |
1.386 |
2.270 |
| HMDB0013302 |
Phenylalanylphenylalanine |
2.22E-03 |
1.819 |
0.384 |
| HMDB0062594 |
Arachidonic acid methyl ester |
4.04E-03 |
1.762 |
0.389 |
| HMDB0061636 |
3-hydroxydecanoyl carnitine |
4.50E-03 |
1.063 |
2.130 |
| HMDB0006070 |
Pregnanetriol |
1.11E-02 |
1.429 |
0.615 |
| RPLC/ESI− mode |
| HMDB0003355 |
5-Aminovaleric acid |
3.33E-02 |
1.314 |
0.884 |
| HMDB0003640 |
DL-β-Leucine |
1.12E-04 |
2.043 |
0.769 |
| HMDB0000482 |
Caprylic acid |
2.54E-07 |
3.349 |
0.190 |
| HMDB0000148 |
L-Glutamic acid |
9.72E-03 |
1.662 |
0.765 |
| HMDB0000847 |
Nonanoic acid |
2.15E-02 |
1.029 |
1.328 |
| HMDB0000159 |
L-Phenylalanine |
1.10E-04 |
2.405 |
0.674 |
| HMDB0000289 |
Uric acid |
8.01E-04 |
2.201 |
2.138 |
| HMDB0000806 |
Myristic acid |
4.17E-02 |
1.871 |
0.496 |
| HMDB0000826 |
Pentadecanoic acid |
2.98E-02 |
1.752 |
0.782 |
| HMDB0033428 |
(+)-Setoclavine |
3.11E-03 |
1.523 |
1.661 |
| HMDB0002186 |
Hypogeic acid |
1.02E-02 |
1.969 |
0.398 |
| HMDB0000220 |
Palmitic acid |
8.85E-03 |
1.986 |
0.507 |
| HMDB0000827 |
Stearic acid |
3.35E-02 |
1.624 |
0.667 |
| HMDB0001043 |
Arachidonic acid |
7.38E-05 |
2.870 |
0.378 |
| HMDB0010378 |
5,8,11-Eicosatrienoic acid |
7.99E-03 |
2.242 |
0.365 |
| HMDB0013302 |
Phenylalanylphenylalanine |
4.37E-03 |
2.239 |
0.379 |
| HMDB0059915 |
4-Dodecylbenzenesulfonic acid |
1.70E-03 |
1.651 |
1.145 |
| HMDB0002183 |
Docosahexaenoic acid |
1.94E-04 |
2.849 |
0.298 |
| HMDB0001976 |
Docosapentaenoic acid (22n-6) |
1.02E-02 |
2.156 |
0.341 |
| HMDB0039762 |
1,1′-[1,11-Undecanediylbis(oxy)]bisbenzene |
1.32E-03 |
1.296 |
2.351 |
| HMDB0014359 |
Torasemide |
4.17E-03 |
1.207 |
4469.611 |
| HMDB0062319 |
1-dodecanoyl-glycero-3-phosphate |
5.61E-04 |
1.963 |
1.377 |
| HMDB0002833 |
Testosterone sulfate |
1.16E-07 |
2.998 |
0.398 |
| HMDB0002759 |
Androsterone sulfate |
1.76E-02 |
1.613 |
0.611 |
| HMDB0000348 |
3b,12a-Dihydroxy-5a-cholanoic acid |
5.56E-03 |
1.264 |
1.420 |
| HMDB0007849 |
LPA (0:0/16:0) |
1.27E-05 |
2.735 |
0.692 |
| HMDB0062318 |
1-heptadecanoyl-glycero-3-phosphate |
5.95E-03 |
2.041 |
0.533 |
| HMDB0062712 |
3alpha,7beta-dihydroxy-5beta-cholest-24-en-26-oic Acid |
1.82E-03 |
1.383 |
1.431 |
| HMDB0007856 |
LPA (18:2(9Z,12Z)/0:0) |
1.97E-04 |
2.244 |
0.669 |
| HMDB0007855 |
LPA (18:1(9Z)/0:0) |
4.88E-04 |
2.383 |
0.682 |
| HMDB0007850 |
LPA (0:0/18:0) |
1.83E-03 |
2.056 |
0.735 |
| HMDB0002126 |
27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol |
4.56E-02 |
1.139 |
1.272 |
| HMDB0029804 |
Momordol |
5.76E-03 |
1.342 |
1.406 |
| HMDB0002157 |
27-Norcholestanehexol |
1.20E-02 |
1.394 |
1.359 |
| HMDB0062307 |
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycero-3-phosphate |
2.28E-04 |
2.140 |
0.582 |
| HMDB0002409 |
N-[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy) cholan-24-yl]-Glycine |
1.15E-02 |
1.126 |
3.019 |
| HMDB0002430 |
(3a,5b,7a)-23-Carboxy-7-hydroxy-24-norcholan-3-yl-b-D-Glucopyranosiduronic acid |
2.59E-02 |
1.066 |
1.887 |
| HMDB0001008 |
Biliverdin |
2.52E-02 |
1.287 |
1.432 |
| HMDB0002579 |
Glycochenodeoxycholic acid 3-glucuronide |
1.97E-03 |
1.363 |
2.627 |
