Auxiliary Material: biological_serum_13

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00001 1-Methylhistidine23.235.4
HMDB00008 2-Hydroxybutyrate11.012.0
HMDB00042 Acetic acid31.838.4
HMDB00043 Betaine19.616.6
HMDB00060 Acetoacetate1.12.6
HMDB00062 L-Carnitine20.418.1
HMDB00064 Creatine6.614.9
HMDB00094 Citric acid81.777.6
HMDB00097 Choline7.28.1
HMDB00108 Ethanol20.919.3
HMDB00122 D-Glucose3844.24113.4
HMDB00123 Glycine173.4193.8
HMDB00131 Glycerol104.6121.5
HMDB00142 Formic acid16.713.1
HMDB00148 L-Glutamic acid86.299.2
HMDB00157 Hypoxanthine11.40.0
HMDB00158 L-Tyrosine35.336.2
HMDB00159 L-Phenylalanine34.533.8
HMDB00161 L-Alanine394.8393.5
HMDB00162 L-Proline90.385.1
HMDB00167 L-Threonine109.074.0
HMDB00168 L-Asparagine0.021.3
HMDB00172 L-Isoleucine32.040.7
HMDB00177 L-Histidine40.019.6
HMDB00182 Lysine67.971.9
HMDB00187 L-Serine94.993.3
HMDB00190 L-Lactic acid2501.12821.5
HMDB00191 L-Aspartic acid32.60.0
HMDB00214 Ornithine0.026.0
HMDB00243 Pyruvic acid80.980.5
HMDB00254 Succinic acid4.44.8
HMDB00357 3-Hydroxybutyric acid45.841.1
HMDB00517 L-Arginine43.443.8
HMDB00562 Creatinine37.135.9
HMDB00641 L-Glutamine310.3303.3
HMDB00687 L-Leucine61.062.8
HMDB00691 Malonic acid5.13.4
HMDB00696 L-Methionine10.211.3
HMDB00863 Isopropanol13.713.3
HMDB00883 L-Valine114.3129.8
HMDB00929 L-Tryptophan11.50.0
HMDB01659 Acetone14.514.5
HMDB01873 Isobutyric acid2.44.2
HMDB01875 Methanol137.4136.2
HMDB01881 Propylene glycol4.38.1
HMDB04983 Dimethylsulfone2.74.4