Auxiliary Material: biological_serum_13

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...
Drag icon

Quantities

HMDB IDCompound NameBayesil (µM)Expert (µM)
-DSS797.1797.1
HMDB00001 1-Methylhistidine23.235.4
HMDB00008 2-Hydroxybutyrate11.012.0
HMDB00042 Acetic acid31.838.4
HMDB00043 Betaine19.616.6
HMDB00060 Acetoacetate1.12.6
HMDB00062 L-Carnitine20.418.1
HMDB00064 Creatine6.614.9
HMDB00094 Citric acid81.777.6
HMDB00097 Choline7.28.1
HMDB00108 Ethanol20.919.3
HMDB00122 D-Glucose3844.24113.4
HMDB00123 Glycine173.4193.8
HMDB00131 Glycerol104.6121.5
HMDB00142 Formic acid16.713.1
HMDB00148 L-Glutamic acid86.299.2
HMDB00157 Hypoxanthine11.40.0
HMDB00158 L-Tyrosine35.336.2
HMDB00159 L-Phenylalanine34.533.8
HMDB00161 L-Alanine394.8393.5
HMDB00162 L-Proline90.385.1
HMDB00167 L-Threonine109.074.0
HMDB00168 L-Asparagine0.021.3
HMDB00172 L-Isoleucine32.040.7
HMDB00177 L-Histidine40.019.6
HMDB00182 Lysine67.971.9
HMDB00187 L-Serine94.993.3
HMDB00190 L-Lactic acid2501.12821.5
HMDB00191 L-Aspartic acid32.60.0
HMDB00214 Ornithine0.026.0
HMDB00243 Pyruvic acid80.980.5
HMDB00254 Succinic acid4.44.8
HMDB00357 3-Hydroxybutyric acid45.841.1
HMDB00517 L-Arginine43.443.8
HMDB00562 Creatinine37.135.9
HMDB00641 L-Glutamine310.3303.3
HMDB00687 L-Leucine61.062.8
HMDB00691 Malonic acid5.13.4
HMDB00696 L-Methionine10.211.3
HMDB00863 Isopropanol13.713.3
HMDB00883 L-Valine114.3129.8
HMDB00929 L-Tryptophan11.50.0
HMDB01659 Acetone14.514.5
HMDB01873 Isobutyric acid2.44.2
HMDB01875 Methanol137.4136.2
HMDB01881 Propylene glycol4.38.1
HMDB04983 Dimethylsulfone2.74.4