Auxiliary Material: def_mix_serum_n_csf_5

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 IDCompound NameBayesil (µM)Expert (µM)
-DSS873.4873.4
HMDB00019 2-Oxoisovalerate12.18.5
HMDB00023 3-Hydroxyisobutyrate0.40.0
HMDB00042 Acetic acid49.746.7
HMDB00043 Betaine6.85.2
HMDB00060 Acetoacetate20.317.9
HMDB00064 Creatine21.714.1
HMDB00087 Dimethylamine9.16.7
HMDB00094 Citric acid67.270.0
HMDB00097 Choline11.29.3
HMDB00108 Ethanol592.4625.8
HMDB00122 D-Glucose3046.53367.3
HMDB00123 Glycine63.869.7
HMDB00131 Glycerol819.0604.2
HMDB00142 Formic acid36.733.5
HMDB00148 L-Glutamic acid41.652.1
HMDB00157 Hypoxanthine7.06.6
HMDB00158 L-Tyrosine26.527.6
HMDB00159 L-Phenylalanine39.241.1
HMDB00161 L-Alanine344.7336.0
HMDB00162 L-Proline79.7132.9
HMDB00167 L-Threonine49.862.8
HMDB00172 L-Isoleucine7.011.8
HMDB00177 L-Histidine64.269.2
HMDB00182 Lysine45.168.0
HMDB00187 L-Serine264.082.7
HMDB00190 L-Lactic acid1074.31119.6
HMDB00191 L-Aspartic acid48.010.4
HMDB00208 2-Oxoglutaric acid1.03.9
HMDB00211 Myoinositol67.847.4
HMDB00214 Ornithine38.729.4
HMDB00243 Pyruvic acid29.633.7
HMDB00254 Succinic acid4.86.6
HMDB00267 Pyroglutamic acid151.8167.9
HMDB00292 Xanthine8.011.0
HMDB00357 3-Hydroxybutyric acid33.122.5
HMDB00517 L-Arginine62.975.9
HMDB00562 Creatinine12.136.2
HMDB00641 L-Glutamine43.368.8
HMDB00660 Fructose101.766.1
HMDB00687 L-Leucine48.252.3
HMDB00691 Malonic acid20.521.5
HMDB00696 L-Methionine15.313.2
HMDB00754 3-Hydroxyisovaleric acid4.15.4
HMDB00863 Isopropanol29.040.2
HMDB00883 L-Valine82.794.6
HMDB00929 L-Tryptophan9.90.0
HMDB01659 Acetone46.846.3
HMDB01873 Isobutyric acid0.92.9
HMDB01875 Methanol115.5123.3
HMDB01881 Propylene glycol7.19.4
HMDB04983 Dimethylsulfone6.43.7