Auxiliary Material: biological_serum_24

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)
-DSS795.9795.9
HMDB00001 1-Methylhistidine22.326.4
HMDB00008 2-Hydroxybutyrate12.715.1
HMDB00042 Acetic acid82.687.4
HMDB00043 Betaine27.622.4
HMDB00060 Acetoacetate0.02.0
HMDB00062 L-Carnitine18.517.6
HMDB00064 Creatine11.216.5
HMDB00094 Citric acid82.472.3
HMDB00097 Choline2.95.7
HMDB00108 Ethanol15.711.4
HMDB00122 D-Glucose4207.64445.8
HMDB00123 Glycine104.6117.2
HMDB00131 Glycerol87.396.6
HMDB00142 Formic acid12.68.2
HMDB00148 L-Glutamic acid92.5108.6
HMDB00157 Hypoxanthine7.80.0
HMDB00158 L-Tyrosine34.130.4
HMDB00159 L-Phenylalanine29.936.7
HMDB00161 L-Alanine310.0306.7
HMDB00162 L-Proline106.688.3
HMDB00167 L-Threonine110.885.7
HMDB00168 L-Asparagine42.70.0
HMDB00172 L-Isoleucine26.436.3
HMDB00177 L-Histidine55.234.3
HMDB00182 Lysine44.554.0
HMDB00187 L-Serine198.887.0
HMDB00190 L-Lactic acid1480.31624.5
HMDB00191 L-Aspartic acid39.10.0
HMDB00214 Ornithine0.021.9
HMDB00243 Pyruvic acid37.237.9
HMDB00254 Succinic acid2.72.9
HMDB00357 3-Hydroxybutyric acid27.626.4
HMDB00517 L-Arginine55.444.6
HMDB00562 Creatinine44.347.2
HMDB00641 L-Glutamine208.7230.8
HMDB00687 L-Leucine38.240.3
HMDB00691 Malonic acid9.610.0
HMDB00696 L-Methionine16.713.8
HMDB00863 Isopropanol8.25.9
HMDB00883 L-Valine81.791.3
HMDB00929 L-Tryptophan9.70.0
HMDB01659 Acetone10.110.4
HMDB01873 Isobutyric acid3.63.8
HMDB01875 Methanol86.684.2
HMDB01881 Propylene glycol6.66.3
HMDB04983 Dimethylsulfone2.21.9