Auxiliary Material: def_mix_serum_n_csf_2

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)
-DSS872.8872.8
HMDB00019 2-Oxoisovalerate14.68.6
HMDB00023 3-Hydroxyisobutyrate1.60.0
HMDB00042 Acetic acid46.850.6
HMDB00043 Betaine0.06.0
HMDB00060 Acetoacetate21.519.5
HMDB00064 Creatine11.014.8
HMDB00087 Dimethylamine7.46.6
HMDB00094 Citric acid70.569.5
HMDB00097 Choline12.510.4
HMDB00108 Ethanol580.3621.8
HMDB00122 D-Glucose3222.73273.6
HMDB00123 Glycine22.766.9
HMDB00131 Glycerol824.9601.4
HMDB00142 Formic acid35.832.5
HMDB00148 L-Glutamic acid30.949.5
HMDB00157 Hypoxanthine8.27.7
HMDB00158 L-Tyrosine27.026.9
HMDB00159 L-Phenylalanine38.441.6
HMDB00161 L-Alanine339.9328.4
HMDB00162 L-Proline105.6128.3
HMDB00167 L-Threonine74.057.5
HMDB00172 L-Isoleucine9.911.9
HMDB00177 L-Histidine69.075.9
HMDB00182 Lysine67.165.7
HMDB00187 L-Serine312.090.1
HMDB00190 L-Lactic acid1066.01140.0
HMDB00191 L-Aspartic acid21.113.8
HMDB00208 2-Oxoglutaric acid9.83.3
HMDB00211 Myoinositol45.051.7
HMDB00214 Ornithine16.924.8
HMDB00243 Pyruvic acid27.634.6
HMDB00254 Succinic acid4.41.0
HMDB00267 Pyroglutamic acid185.5215.6
HMDB00292 Xanthine26.517.0
HMDB00357 3-Hydroxybutyric acid11.022.8
HMDB00517 L-Arginine61.959.8
HMDB00562 Creatinine28.728.7
HMDB00641 L-Glutamine71.778.0
HMDB00660 Fructose60.384.0
HMDB00687 L-Leucine50.850.5
HMDB00691 Malonic acid6.424.5
HMDB00696 L-Methionine13.613.4
HMDB00754 3-Hydroxyisovaleric acid6.54.5
HMDB00863 Isopropanol43.738.6
HMDB00883 L-Valine70.979.5
HMDB00929 L-Tryptophan14.10.0
HMDB01659 Acetone47.246.6
HMDB01873 Isobutyric acid0.80.8
HMDB01875 Methanol150.1122.5
HMDB01881 Propylene glycol7.49.1
HMDB04983 Dimethylsulfone4.61.3