Auxiliary Material: biological_serum_40
Spectrum with Fit
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| HMDB ID | Compound Name | Bayesil (µM) | Expert (µM) |
|---|---|---|---|
| - | DSS | 796.5 | 796.5 |
| HMDB00001 | 1-Methylhistidine | 44.6 | 11.7 |
| HMDB00008 | 2-Hydroxybutyrate | 7.1 | 12.7 |
| HMDB00042 | Acetic acid | 21.2 | 25.8 |
| HMDB00043 | Betaine | 23.1 | 21.8 |
| HMDB00060 | Acetoacetate | 0.0 | 2.3 |
| HMDB00062 | L-Carnitine | 28.4 | 23.0 |
| HMDB00064 | Creatine | 17.2 | 24.3 |
| HMDB00094 | Citric acid | 79.2 | 65.8 |
| HMDB00097 | Choline | 8.6 | 10.3 |
| HMDB00108 | Ethanol | 12.5 | 8.6 |
| HMDB00122 | D-Glucose | 3781.9 | 4031.4 |
| HMDB00123 | Glycine | 132.4 | 150.7 |
| HMDB00131 | Glycerol | 100.0 | 85.5 |
| HMDB00142 | Formic acid | 15.4 | 0.0 |
| HMDB00148 | L-Glutamic acid | 63.1 | 60.6 |
| HMDB00157 | Hypoxanthine | 8.8 | 0.0 |
| HMDB00158 | L-Tyrosine | 42.7 | 39.1 |
| HMDB00159 | L-Phenylalanine | 37.9 | 38.1 |
| HMDB00161 | L-Alanine | 272.2 | 270.6 |
| HMDB00162 | L-Proline | 97.1 | 80.9 |
| HMDB00167 | L-Threonine | 88.6 | 91.9 |
| HMDB00168 | L-Asparagine | 21.7 | 0.0 |
| HMDB00172 | L-Isoleucine | 29.3 | 42.7 |
| HMDB00177 | L-Histidine | 38.7 | 51.4 |
| HMDB00182 | Lysine | 104.6 | 58.6 |
| HMDB00187 | L-Serine | 155.9 | 132.7 |
| HMDB00190 | L-Lactic acid | 948.6 | 1039.6 |
| HMDB00191 | L-Aspartic acid | 33.5 | 0.0 |
| HMDB00214 | Ornithine | 1.3 | 28.6 |
| HMDB00243 | Pyruvic acid | 45.1 | 45.6 |
| HMDB00254 | Succinic acid | 2.8 | 3.3 |
| HMDB00357 | 3-Hydroxybutyric acid | 17.3 | 15.4 |
| HMDB00517 | L-Arginine | 51.6 | 40.4 |
| HMDB00562 | Creatinine | 39.5 | 42.9 |
| HMDB00641 | L-Glutamine | 310.5 | 321.0 |
| HMDB00687 | L-Leucine | 64.3 | 69.9 |
| HMDB00691 | Malonic acid | 13.3 | 15.5 |
| HMDB00696 | L-Methionine | 17.0 | 17.4 |
| HMDB00863 | Isopropanol | 5.5 | 4.3 |
| HMDB00883 | L-Valine | 123.5 | 132.6 |
| HMDB00929 | L-Tryptophan | 11.4 | 0.0 |
| HMDB01659 | Acetone | 14.0 | 14.7 |
| HMDB01873 | Isobutyric acid | 6.2 | 6.1 |
| HMDB01875 | Methanol | 70.0 | 72.6 |
| HMDB01881 | Propylene glycol | 4.7 | 3.3 |
| HMDB04983 | Dimethylsulfone | 1.4 | 3.8 |