Auxiliary Material: biological_serum_37

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)
HMDB00001 1-Methylhistidine24.618.5
HMDB00008 2-Hydroxybutyrate8.212.6
HMDB00042 Acetic acid24.726.2
HMDB00043 Betaine20.013.8
HMDB00060 Acetoacetate0.71.8
HMDB00062 L-Carnitine7.911.2
HMDB00064 Creatine25.121.7
HMDB00094 Citric acid52.755.8
HMDB00097 Choline6.85.7
HMDB00108 Ethanol19.38.1
HMDB00122 D-Glucose2937.72948.1
HMDB00123 Glycine107.097.7
HMDB00131 Glycerol212.3136.2
HMDB00142 Formic acid8.10.0
HMDB00148 L-Glutamic acid52.555.3
HMDB00157 Hypoxanthine7.60.0
HMDB00158 L-Tyrosine24.619.7
HMDB00159 L-Phenylalanine27.931.5
HMDB00161 L-Alanine225.9236.0
HMDB00162 L-Proline72.147.5
HMDB00167 L-Threonine46.261.0
HMDB00168 L-Asparagine64.00.0
HMDB00172 L-Isoleucine22.531.8
HMDB00177 L-Histidine39.133.7
HMDB00182 Lysine73.9107.8
HMDB00187 L-Serine304.689.9
HMDB00190 L-Lactic acid1920.22142.2
HMDB00191 L-Aspartic acid57.40.0
HMDB00214 Ornithine6.921.4
HMDB00243 Pyruvic acid51.357.1
HMDB00254 Succinic acid1.43.2
HMDB00357 3-Hydroxybutyric acid38.125.9
HMDB00517 L-Arginine81.967.3
HMDB00562 Creatinine30.531.4
HMDB00641 L-Glutamine216.6212.2
HMDB00687 L-Leucine40.446.6
HMDB00691 Malonic acid12.15.0
HMDB00696 L-Methionine10.89.9
HMDB00863 Isopropanol8.34.5
HMDB00883 L-Valine95.7103.7
HMDB00929 L-Tryptophan18.80.0
HMDB01659 Acetone17.418.2
HMDB01873 Isobutyric acid5.24.3
HMDB01875 Methanol56.346.1
HMDB01881 Propylene glycol13.79.4
HMDB04983 Dimethylsulfone5.34.2