Auxiliary Material: biological_csf_3
Spectrum with Fit
The spectra viewer shows the processed spectrum (black) and the fit (blue).
Details in the spectrum can be examined by zooming in on regions of interest
(Press Option or Alt and drag around an area; or use a scroll wheel to zoom
the X-axis and press Option or Alt while using a scroll wheel to zoom the
Y-axis). More info...
| HMDB ID | Compound Name | Bayesil (µM) | Expert (µM) |
|---|---|---|---|
| - | DSS | 902.3 | 902.3 |
| HMDB00008 | 2-Hydroxybutyrate | 24.9 | 24.3 |
| HMDB00023 | 3-Hydroxyisobutyrate | 5.4 | 7.0 |
| HMDB00042 | Acetic acid | 89.0 | 91.4 |
| HMDB00060 | Acetoacetate | 4.9 | 4.4 |
| HMDB00064 | Creatine | 30.2 | 27.0 |
| HMDB00087 | Dimethylamine | 0.5 | 1.3 |
| HMDB00094 | Citric acid | 146.8 | 148.6 |
| HMDB00097 | Choline | 1.7 | 1.3 |
| HMDB00122 | D-Glucose | 2113.3 | 2208.2 |
| HMDB00131 | Glycerol | 264.0 | 185.5 |
| HMDB00142 | Formic acid | 31.9 | 30.5 |
| HMDB00158 | L-Tyrosine | 6.6 | 4.6 |
| HMDB00159 | L-Phenylalanine | 7.2 | 7.5 |
| HMDB00161 | L-Alanine | 18.0 | 19.1 |
| HMDB00167 | L-Threonine | 26.8 | 13.8 |
| HMDB00169 | Mannose | 73.8 | 16.4 |
| HMDB00172 | L-Isoleucine | 0.9 | 1.8 |
| HMDB00177 | L-Histidine | 4.9 | 4.9 |
| HMDB00182 | Lysine | 14.6 | 10.9 |
| HMDB00187 | L-Serine | 62.1 | 28.6 |
| HMDB00190 | L-Lactic acid | 1034.5 | 1128.8 |
| HMDB00211 | Myoinositol | 76.4 | 72.9 |
| HMDB00243 | Pyruvic acid | 0.5 | 0.8 |
| HMDB00254 | Succinic acid | 0.0 | 1.5 |
| HMDB00267 | Pyroglutamic acid | 57.1 | 52.6 |
| HMDB00292 | Xanthine | 1.6 | 0.0 |
| HMDB00357 | 3-Hydroxybutyric acid | 22.4 | 13.2 |
| HMDB00407 | 2-Hydroxyisovaleric acid | 3.1 | 4.6 |
| HMDB00562 | Creatinine | 34.9 | 35.5 |
| HMDB00641 | L-Glutamine | 363.2 | 315.1 |
| HMDB00660 | Fructose | 95.9 | 78.6 |
| HMDB00687 | L-Leucine | 6.3 | 5.1 |
| HMDB00696 | L-Methionine | 4.0 | 2.3 |
| HMDB00754 | 3-Hydroxyisovaleric acid | 2.6 | 1.1 |
| HMDB00863 | Isopropanol | 13.7 | 12.3 |
| HMDB00883 | L-Valine | 6.4 | 6.9 |
| HMDB00929 | L-Tryptophan | 1.8 | 0.0 |
| HMDB01659 | Acetone | 49.4 | 48.0 |
| HMDB01875 | Methanol | 1057.4 | 1099.1 |
| HMDB01881 | Propylene glycol | 0.0 | 4.6 |
| HMDB02712 | 1,5-Anhydrosorbitol | 162.6 | 82.5 |
| HMDB04983 | Dimethylsulfone | 7.2 | 3.5 |