Auxiliary Material: biological_serum_14
Spectrum with Fit
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Quantities
| HMDB ID | Compound Name | Bayesil (µM) | Expert (µM) |
|---|---|---|---|
| - | DSS | 797.7 | 797.7 |
| HMDB00001 | 1-Methylhistidine | 44.9 | 29.9 |
| HMDB00008 | 2-Hydroxybutyrate | 25.1 | 37.5 |
| HMDB00042 | Acetic acid | 44.3 | 51.2 |
| HMDB00043 | Betaine | 16.6 | 20.2 |
| HMDB00060 | Acetoacetate | 4.8 | 4.4 |
| HMDB00062 | L-Carnitine | 34.2 | 26.3 |
| HMDB00064 | Creatine | 29.1 | 42.8 |
| HMDB00094 | Citric acid | 92.7 | 85.4 |
| HMDB00097 | Choline | 8.8 | 9.5 |
| HMDB00108 | Ethanol | 13.2 | 13.8 |
| HMDB00122 | D-Glucose | 4143.6 | 4246.5 |
| HMDB00123 | Glycine | 182.1 | 226.9 |
| HMDB00131 | Glycerol | 72.3 | 64.6 |
| HMDB00142 | Formic acid | 16.4 | 12.5 |
| HMDB00148 | L-Glutamic acid | 106.3 | 123.9 |
| HMDB00157 | Hypoxanthine | 10.4 | 0.0 |
| HMDB00158 | L-Tyrosine | 48.4 | 49.7 |
| HMDB00159 | L-Phenylalanine | 50.5 | 56.1 |
| HMDB00161 | L-Alanine | 282.8 | 273.5 |
| HMDB00162 | L-Proline | 109.9 | 97.0 |
| HMDB00167 | L-Threonine | 129.8 | 109.9 |
| HMDB00168 | L-Asparagine | 0.0 | 0.0 |
| HMDB00172 | L-Isoleucine | 33.4 | 57.9 |
| HMDB00177 | L-Histidine | 18.7 | 47.1 |
| HMDB00182 | Lysine | 103.5 | 112.6 |
| HMDB00187 | L-Serine | 234.8 | 107.7 |
| HMDB00190 | L-Lactic acid | 1254.0 | 1369.3 |
| HMDB00191 | L-Aspartic acid | 54.1 | 0.0 |
| HMDB00214 | Ornithine | 0.0 | 36.1 |
| HMDB00243 | Pyruvic acid | 29.3 | 30.1 |
| HMDB00254 | Succinic acid | 4.3 | 4.3 |
| HMDB00357 | 3-Hydroxybutyric acid | 43.0 | 45.7 |
| HMDB00517 | L-Arginine | 59.1 | 84.1 |
| HMDB00562 | Creatinine | 34.5 | 31.0 |
| HMDB00641 | L-Glutamine | 246.2 | 258.1 |
| HMDB00687 | L-Leucine | 93.3 | 112.6 |
| HMDB00691 | Malonic acid | 5.9 | 5.1 |
| HMDB00696 | L-Methionine | 17.6 | 22.2 |
| HMDB00863 | Isopropanol | 4.4 | 2.7 |
| HMDB00883 | L-Valine | 151.2 | 170.8 |
| HMDB00929 | L-Tryptophan | 13.6 | 0.0 |
| HMDB01659 | Acetone | 20.8 | 23.6 |
| HMDB01873 | Isobutyric acid | 3.7 | 6.0 |
| HMDB01875 | Methanol | 88.0 | 87.5 |
| HMDB01881 | Propylene glycol | 8.0 | 9.7 |
| HMDB04983 | Dimethylsulfone | 0.6 | 3.5 |