Auxiliary Material: biological_serum_4

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)
-DSS789.2789.2
HMDB00001 1-Methylhistidine59.420.2
HMDB00008 2-Hydroxybutyrate90.196.4
HMDB00042 Acetic acid32.935.0
HMDB00043 Betaine16.215.2
HMDB00060 Acetoacetate4.02.9
HMDB00062 L-Carnitine35.227.9
HMDB00064 Creatine13.520.6
HMDB00094 Citric acid96.294.0
HMDB00097 Choline7.78.7
HMDB00108 Ethanol9.09.7
HMDB00122 D-Glucose2549.52966.9
HMDB00123 Glycine169.0192.1
HMDB00131 Glycerol103.797.6
HMDB00142 Formic acid13.40.0
HMDB00148 L-Glutamic acid41.871.3
HMDB00157 Hypoxanthine18.00.0
HMDB00158 L-Tyrosine37.231.5
HMDB00159 L-Phenylalanine41.548.5
HMDB00161 L-Alanine243.1246.1
HMDB00162 L-Proline84.164.2
HMDB00167 L-Threonine102.898.7
HMDB00168 L-Asparagine0.00.0
HMDB00172 L-Isoleucine44.358.3
HMDB00177 L-Histidine15.342.1
HMDB00182 Lysine77.598.8
HMDB00187 L-Serine130.1137.3
HMDB00190 L-Lactic acid819.3941.0
HMDB00191 L-Aspartic acid41.20.0
HMDB00214 Ornithine0.016.9
HMDB00243 Pyruvic acid12.516.6
HMDB00254 Succinic acid0.83.3
HMDB00357 3-Hydroxybutyric acid342.9386.8
HMDB00517 L-Arginine60.156.6
HMDB00562 Creatinine38.343.0
HMDB00641 L-Glutamine249.8279.1
HMDB00687 L-Leucine107.2111.7
HMDB00691 Malonic acid2.49.6
HMDB00696 L-Methionine19.210.3
HMDB00863 Isopropanol10.412.2
HMDB00883 L-Valine141.8166.7
HMDB00929 L-Tryptophan14.50.0
HMDB01659 Acetone113.4116.0
HMDB01873 Isobutyric acid5.68.3
HMDB01875 Methanol59.856.0
HMDB01881 Propylene glycol9.211.2
HMDB04983 Dimethylsulfone3.14.1