Auxiliary Material: biological_serum_27
Spectrum with Fit
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Quantities
| HMDB ID | Compound Name | Bayesil (µM) | Expert (µM) |
|---|---|---|---|
| - | DSS | 797.1 | 797.1 |
| HMDB00001 | 1-Methylhistidine | 37.0 | 24.7 |
| HMDB00008 | 2-Hydroxybutyrate | 18.1 | 20.0 |
| HMDB00042 | Acetic acid | 60.7 | 69.0 |
| HMDB00043 | Betaine | 13.6 | 13.6 |
| HMDB00060 | Acetoacetate | 1.3 | 2.4 |
| HMDB00062 | L-Carnitine | 22.6 | 16.1 |
| HMDB00064 | Creatine | 30.2 | 38.7 |
| HMDB00094 | Citric acid | 73.9 | 66.4 |
| HMDB00097 | Choline | 5.2 | 6.3 |
| HMDB00108 | Ethanol | 12.6 | 2.8 |
| HMDB00122 | D-Glucose | 3880.5 | 3963.8 |
| HMDB00123 | Glycine | 110.4 | 122.9 |
| HMDB00131 | Glycerol | 54.4 | 77.9 |
| HMDB00142 | Formic acid | 8.9 | 0.0 |
| HMDB00148 | L-Glutamic acid | 63.4 | 75.6 |
| HMDB00157 | Hypoxanthine | 8.2 | 0.0 |
| HMDB00158 | L-Tyrosine | 33.7 | 34.9 |
| HMDB00159 | L-Phenylalanine | 36.5 | 38.0 |
| HMDB00161 | L-Alanine | 231.7 | 246.7 |
| HMDB00162 | L-Proline | 66.7 | 70.1 |
| HMDB00167 | L-Threonine | 151.0 | 88.5 |
| HMDB00168 | L-Asparagine | 25.2 | 0.0 |
| HMDB00172 | L-Isoleucine | 25.7 | 34.5 |
| HMDB00177 | L-Histidine | 12.4 | 31.6 |
| HMDB00182 | Lysine | 94.1 | 63.7 |
| HMDB00187 | L-Serine | 140.6 | 87.5 |
| HMDB00190 | L-Lactic acid | 2492.4 | 2855.9 |
| HMDB00191 | L-Aspartic acid | 29.0 | 0.0 |
| HMDB00214 | Ornithine | 0.0 | 21.3 |
| HMDB00243 | Pyruvic acid | 37.7 | 37.8 |
| HMDB00254 | Succinic acid | 3.9 | 4.5 |
| HMDB00357 | 3-Hydroxybutyric acid | 24.9 | 24.2 |
| HMDB00517 | L-Arginine | 68.3 | 93.6 |
| HMDB00562 | Creatinine | 45.7 | 44.8 |
| HMDB00641 | L-Glutamine | 237.4 | 238.2 |
| HMDB00687 | L-Leucine | 59.3 | 65.2 |
| HMDB00691 | Malonic acid | 7.5 | 10.6 |
| HMDB00696 | L-Methionine | 19.7 | 9.4 |
| HMDB00863 | Isopropanol | 3.1 | 1.0 |
| HMDB00883 | L-Valine | 119.4 | 130.0 |
| HMDB00929 | L-Tryptophan | 7.1 | 0.0 |
| HMDB01659 | Acetone | 13.9 | 14.3 |
| HMDB01873 | Isobutyric acid | 3.7 | 5.1 |
| HMDB01875 | Methanol | 27.2 | 32.0 |
| HMDB01881 | Propylene glycol | 6.8 | 4.4 |
| HMDB04983 | Dimethylsulfone | 2.4 | 2.6 |