Auxiliary Material: biological_serum_7
Spectrum with Fit
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| HMDB ID | Compound Name | Bayesil (µM) | Expert (µM) |
|---|---|---|---|
| - | DSS | 797.7 | 797.7 |
| HMDB00001 | 1-Methylhistidine | 34.1 | 27.5 |
| HMDB00008 | 2-Hydroxybutyrate | 28.3 | 38.7 |
| HMDB00042 | Acetic acid | 54.5 | 64.8 |
| HMDB00043 | Betaine | 16.6 | 14.2 |
| HMDB00060 | Acetoacetate | 0.0 | 2.6 |
| HMDB00062 | L-Carnitine | 22.6 | 23.2 |
| HMDB00064 | Creatine | 30.3 | 44.4 |
| HMDB00094 | Citric acid | 109.3 | 90.7 |
| HMDB00097 | Choline | 7.7 | 10.7 |
| HMDB00108 | Ethanol | 16.4 | 15.6 |
| HMDB00122 | D-Glucose | 4291.6 | 4418.3 |
| HMDB00123 | Glycine | 119.9 | 144.3 |
| HMDB00131 | Glycerol | 88.8 | 89.6 |
| HMDB00142 | Formic acid | 16.7 | 15.3 |
| HMDB00148 | L-Glutamic acid | 162.2 | 174.3 |
| HMDB00157 | Hypoxanthine | 13.3 | 0.0 |
| HMDB00158 | L-Tyrosine | 38.9 | 38.8 |
| HMDB00159 | L-Phenylalanine | 49.2 | 53.9 |
| HMDB00161 | L-Alanine | 262.2 | 260.9 |
| HMDB00162 | L-Proline | 89.9 | 90.3 |
| HMDB00167 | L-Threonine | 66.7 | 47.5 |
| HMDB00168 | L-Asparagine | 23.6 | 0.0 |
| HMDB00172 | L-Isoleucine | 45.2 | 64.6 |
| HMDB00177 | L-Histidine | 34.7 | 24.3 |
| HMDB00182 | Lysine | 120.9 | 107.7 |
| HMDB00187 | L-Serine | 36.0 | 56.7 |
| HMDB00190 | L-Lactic acid | 1209.0 | 1317.8 |
| HMDB00191 | L-Aspartic acid | 80.8 | 18.5 |
| HMDB00214 | Ornithine | 0.0 | 30.0 |
| HMDB00243 | Pyruvic acid | 62.3 | 64.3 |
| HMDB00254 | Succinic acid | 3.4 | 5.0 |
| HMDB00357 | 3-Hydroxybutyric acid | 36.0 | 40.5 |
| HMDB00517 | L-Arginine | 61.6 | 89.9 |
| HMDB00562 | Creatinine | 38.9 | 42.2 |
| HMDB00641 | L-Glutamine | 203.4 | 208.7 |
| HMDB00687 | L-Leucine | 98.4 | 109.6 |
| HMDB00691 | Malonic acid | 5.9 | 3.3 |
| HMDB00696 | L-Methionine | 15.4 | 16.6 |
| HMDB00863 | Isopropanol | 11.8 | 11.9 |
| HMDB00883 | L-Valine | 147.1 | 165.7 |
| HMDB00929 | L-Tryptophan | 12.2 | 0.0 |
| HMDB01659 | Acetone | 24.3 | 25.4 |
| HMDB01873 | Isobutyric acid | 4.7 | 6.9 |
| HMDB01875 | Methanol | 96.8 | 95.1 |
| HMDB01881 | Propylene glycol | 10.4 | 8.8 |
| HMDB04983 | Dimethylsulfone | 2.6 | 3.7 |