Auxiliary Material: biological_serum_11

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-Methylhistidine39.426.6
HMDB00008 2-Hydroxybutyrate30.732.3
HMDB00042 Acetic acid47.556.6
HMDB00043 Betaine16.014.6
HMDB00060 Acetoacetate0.02.9
HMDB00062 L-Carnitine27.221.1
HMDB00064 Creatine48.258.2
HMDB00094 Citric acid79.669.4
HMDB00097 Choline16.018.3
HMDB00108 Ethanol12.96.0
HMDB00122 D-Glucose3780.83806.1
HMDB00123 Glycine72.298.5
HMDB00131 Glycerol153.1155.6
HMDB00142 Formic acid18.110.6
HMDB00148 L-Glutamic acid96.585.1
HMDB00157 Hypoxanthine8.80.0
HMDB00158 L-Tyrosine59.764.9
HMDB00159 L-Phenylalanine50.855.6
HMDB00161 L-Alanine284.5289.0
HMDB00162 L-Proline96.596.8
HMDB00167 L-Threonine133.4110.5
HMDB00168 L-Asparagine49.50.0
HMDB00172 L-Isoleucine55.070.4
HMDB00177 L-Histidine32.633.8
HMDB00182 Lysine121.8112.3
HMDB00187 L-Serine272.1113.9
HMDB00190 L-Lactic acid1094.01212.9
HMDB00191 L-Aspartic acid39.80.0
HMDB00214 Ornithine0.030.4
HMDB00243 Pyruvic acid25.427.7
HMDB00254 Succinic acid2.83.2
HMDB00357 3-Hydroxybutyric acid21.321.9
HMDB00517 L-Arginine78.492.2
HMDB00562 Creatinine33.933.4
HMDB00641 L-Glutamine308.5292.3
HMDB00687 L-Leucine100.294.3
HMDB00691 Malonic acid8.912.9
HMDB00696 L-Methionine21.820.2
HMDB00863 Isopropanol12.212.4
HMDB00883 L-Valine174.2189.5
HMDB00929 L-Tryptophan15.70.0
HMDB01659 Acetone17.317.9
HMDB01873 Isobutyric acid11.011.5
HMDB01875 Methanol51.351.7
HMDB01881 Propylene glycol6.26.3
HMDB04983 Dimethylsulfone4.37.1