Auxiliary Material: biological_serum_19

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-Methylhistidine47.226.0
HMDB00008 2-Hydroxybutyrate17.422.9
HMDB00042 Acetic acid32.938.2
HMDB00043 Betaine15.421.7
HMDB00060 Acetoacetate1.42.0
HMDB00062 L-Carnitine27.920.0
HMDB00064 Creatine28.135.6
HMDB00094 Citric acid88.780.7
HMDB00097 Choline7.18.0
HMDB00108 Ethanol58.378.4
HMDB00122 D-Glucose4595.44546.7
HMDB00123 Glycine131.3157.0
HMDB00131 Glycerol48.487.2
HMDB00142 Formic acid13.311.7
HMDB00148 L-Glutamic acid108.897.9
HMDB00157 Hypoxanthine4.50.0
HMDB00158 L-Tyrosine44.947.1
HMDB00159 L-Phenylalanine44.248.3
HMDB00161 L-Alanine286.3284.9
HMDB00162 L-Proline80.986.8
HMDB00167 L-Threonine69.977.6
HMDB00168 L-Asparagine10.931.3
HMDB00172 L-Isoleucine45.558.4
HMDB00177 L-Histidine28.735.1
HMDB00182 Lysine103.482.3
HMDB00187 L-Serine262.364.2
HMDB00190 L-Lactic acid1049.41130.0
HMDB00191 L-Aspartic acid24.00.0
HMDB00214 Ornithine3.129.8
HMDB00243 Pyruvic acid61.265.3
HMDB00254 Succinic acid1.82.6
HMDB00357 3-Hydroxybutyric acid17.221.7
HMDB00517 L-Arginine67.959.9
HMDB00562 Creatinine52.055.3
HMDB00641 L-Glutamine260.5276.3
HMDB00687 L-Leucine75.874.1
HMDB00691 Malonic acid3.16.6
HMDB00696 L-Methionine22.522.2
HMDB00863 Isopropanol5.86.0
HMDB00883 L-Valine122.4137.6
HMDB00929 L-Tryptophan10.40.0
HMDB01659 Acetone20.319.8
HMDB01873 Isobutyric acid6.47.9
HMDB01875 Methanol99.2102.1
HMDB01881 Propylene glycol11.78.3
HMDB04983 Dimethylsulfone1.05.1