Auxiliary Material: biological_serum_48

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-Methylhistidine18.029.7
HMDB00008 2-Hydroxybutyrate8.08.8
HMDB00042 Acetic acid32.638.3
HMDB00043 Betaine21.321.9
HMDB00060 Acetoacetate2.24.5
HMDB00062 L-Carnitine12.416.5
HMDB00064 Creatine31.435.2
HMDB00094 Citric acid68.861.1
HMDB00097 Choline6.98.4
HMDB00108 Ethanol7.98.7
HMDB00122 D-Glucose3125.53031.3
HMDB00123 Glycine126.4139.5
HMDB00131 Glycerol111.476.5
HMDB00142 Formic acid10.60.0
HMDB00148 L-Glutamic acid43.960.1
HMDB00157 Hypoxanthine8.40.0
HMDB00158 L-Tyrosine32.735.4
HMDB00159 L-Phenylalanine39.546.3
HMDB00161 L-Alanine226.7228.9
HMDB00162 L-Proline97.5126.7
HMDB00167 L-Threonine62.585.7
HMDB00168 L-Asparagine38.90.0
HMDB00172 L-Isoleucine27.235.9
HMDB00177 L-Histidine57.934.4
HMDB00182 Lysine67.7112.6
HMDB00187 L-Serine256.691.5
HMDB00190 L-Lactic acid606.3671.8
HMDB00191 L-Aspartic acid49.816.1
HMDB00214 Ornithine10.638.1
HMDB00243 Pyruvic acid37.639.5
HMDB00254 Succinic acid3.43.8
HMDB00357 3-Hydroxybutyric acid19.219.5
HMDB00517 L-Arginine42.392.2
HMDB00562 Creatinine37.237.7
HMDB00641 L-Glutamine270.6294.4
HMDB00687 L-Leucine50.562.0
HMDB00691 Malonic acid4.810.9
HMDB00696 L-Methionine20.913.5
HMDB00863 Isopropanol3.53.6
HMDB00883 L-Valine100.2111.9
HMDB00929 L-Tryptophan7.50.0
HMDB01659 Acetone17.017.8
HMDB01873 Isobutyric acid3.54.9
HMDB01875 Methanol50.046.2
HMDB01881 Propylene glycol8.08.0
HMDB04983 Dimethylsulfone2.84.2