Auxiliary Material: biological_serum_37

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
-DSS788.1788.1
HMDB00001 1-Methylhistidine24.618.5
HMDB00008 2-Hydroxybutyrate8.212.6
HMDB00042 Acetic acid24.726.2
HMDB00043 Betaine20.013.8
HMDB00060 Acetoacetate0.71.8
HMDB00062 L-Carnitine7.911.2
HMDB00064 Creatine25.121.7
HMDB00094 Citric acid52.755.8
HMDB00097 Choline6.85.7
HMDB00108 Ethanol19.38.1
HMDB00122 D-Glucose2937.72948.1
HMDB00123 Glycine107.097.7
HMDB00131 Glycerol212.3136.2
HMDB00142 Formic acid8.10.0
HMDB00148 L-Glutamic acid52.555.3
HMDB00157 Hypoxanthine7.60.0
HMDB00158 L-Tyrosine24.619.7
HMDB00159 L-Phenylalanine27.931.5
HMDB00161 L-Alanine225.9236.0
HMDB00162 L-Proline72.147.5
HMDB00167 L-Threonine46.261.0
HMDB00168 L-Asparagine64.00.0
HMDB00172 L-Isoleucine22.531.8
HMDB00177 L-Histidine39.133.7
HMDB00182 Lysine73.9107.8
HMDB00187 L-Serine304.689.9
HMDB00190 L-Lactic acid1920.22142.2
HMDB00191 L-Aspartic acid57.40.0
HMDB00214 Ornithine6.921.4
HMDB00243 Pyruvic acid51.357.1
HMDB00254 Succinic acid1.43.2
HMDB00357 3-Hydroxybutyric acid38.125.9
HMDB00517 L-Arginine81.967.3
HMDB00562 Creatinine30.531.4
HMDB00641 L-Glutamine216.6212.2
HMDB00687 L-Leucine40.446.6
HMDB00691 Malonic acid12.15.0
HMDB00696 L-Methionine10.89.9
HMDB00863 Isopropanol8.34.5
HMDB00883 L-Valine95.7103.7
HMDB00929 L-Tryptophan18.80.0
HMDB01659 Acetone17.418.2
HMDB01873 Isobutyric acid5.24.3
HMDB01875 Methanol56.346.1
HMDB01881 Propylene glycol13.79.4
HMDB04983 Dimethylsulfone5.34.2