Auxiliary Material: biological_serum_48

Spectrum with Fit

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Quantities

HMDB IDCompound NameBayesil (µM)Expert (µM)
-DSS794.0794.0
HMDB00001 1-Methylhistidine18.029.7
HMDB00008 2-Hydroxybutyrate8.08.8
HMDB00042 Acetic acid32.638.3
HMDB00043 Betaine21.321.9
HMDB00060 Acetoacetate2.24.5
HMDB00062 L-Carnitine12.416.5
HMDB00064 Creatine31.435.2
HMDB00094 Citric acid68.861.1
HMDB00097 Choline6.98.4
HMDB00108 Ethanol7.98.7
HMDB00122 D-Glucose3125.53031.3
HMDB00123 Glycine126.4139.5
HMDB00131 Glycerol111.476.5
HMDB00142 Formic acid10.60.0
HMDB00148 L-Glutamic acid43.960.1
HMDB00157 Hypoxanthine8.40.0
HMDB00158 L-Tyrosine32.735.4
HMDB00159 L-Phenylalanine39.546.3
HMDB00161 L-Alanine226.7228.9
HMDB00162 L-Proline97.5126.7
HMDB00167 L-Threonine62.585.7
HMDB00168 L-Asparagine38.90.0
HMDB00172 L-Isoleucine27.235.9
HMDB00177 L-Histidine57.934.4
HMDB00182 Lysine67.7112.6
HMDB00187 L-Serine256.691.5
HMDB00190 L-Lactic acid606.3671.8
HMDB00191 L-Aspartic acid49.816.1
HMDB00214 Ornithine10.638.1
HMDB00243 Pyruvic acid37.639.5
HMDB00254 Succinic acid3.43.8
HMDB00357 3-Hydroxybutyric acid19.219.5
HMDB00517 L-Arginine42.392.2
HMDB00562 Creatinine37.237.7
HMDB00641 L-Glutamine270.6294.4
HMDB00687 L-Leucine50.562.0
HMDB00691 Malonic acid4.810.9
HMDB00696 L-Methionine20.913.5
HMDB00863 Isopropanol3.53.6
HMDB00883 L-Valine100.2111.9
HMDB00929 L-Tryptophan7.50.0
HMDB01659 Acetone17.017.8
HMDB01873 Isobutyric acid3.54.9
HMDB01875 Methanol50.046.2
HMDB01881 Propylene glycol8.08.0
HMDB04983 Dimethylsulfone2.84.2