Auxiliary Material: biological_serum_43

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)
-DSS797.3797.3
HMDB00001 1-Methylhistidine26.815.5
HMDB00008 2-Hydroxybutyrate9.77.0
HMDB00042 Acetic acid33.541.2
HMDB00043 Betaine14.318.9
HMDB00060 Acetoacetate3.42.1
HMDB00062 L-Carnitine19.116.0
HMDB00064 Creatine18.222.6
HMDB00094 Citric acid74.560.7
HMDB00097 Choline4.65.6
HMDB00108 Ethanol64.174.7
HMDB00122 D-Glucose3346.53424.2
HMDB00123 Glycine120.6130.9
HMDB00131 Glycerol61.373.4
HMDB00142 Formic acid12.68.5
HMDB00148 L-Glutamic acid43.147.0
HMDB00157 Hypoxanthine11.50.0
HMDB00158 L-Tyrosine29.928.6
HMDB00159 L-Phenylalanine36.340.0
HMDB00161 L-Alanine293.4292.9
HMDB00162 L-Proline62.654.6
HMDB00167 L-Threonine139.0112.3
HMDB00168 L-Asparagine16.40.0
HMDB00172 L-Isoleucine20.025.4
HMDB00177 L-Histidine55.557.5
HMDB00182 Lysine101.9102.5
HMDB00187 L-Serine225.8111.5
HMDB00190 L-Lactic acid1251.01381.0
HMDB00191 L-Aspartic acid35.40.0
HMDB00214 Ornithine0.018.9
HMDB00243 Pyruvic acid28.627.7
HMDB00254 Succinic acid4.74.7
HMDB00357 3-Hydroxybutyric acid21.920.0
HMDB00517 L-Arginine50.154.4
HMDB00562 Creatinine37.036.1
HMDB00641 L-Glutamine306.6302.2
HMDB00687 L-Leucine43.750.5
HMDB00691 Malonic acid6.46.0
HMDB00696 L-Methionine16.916.8
HMDB00863 Isopropanol8.05.2
HMDB00883 L-Valine95.5107.2
HMDB00929 L-Tryptophan12.80.0
HMDB01659 Acetone11.210.8
HMDB01873 Isobutyric acid2.23.2
HMDB01875 Methanol138.0134.6
HMDB01881 Propylene glycol0.03.4
HMDB04983 Dimethylsulfone3.44.8