Auxiliary Material: biological_serum_22

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
-DSS796.2796.2
HMDB00001 1-Methylhistidine21.728.8
HMDB00008 2-Hydroxybutyrate24.223.8
HMDB00042 Acetic acid87.696.1
HMDB00043 Betaine12.114.5
HMDB00060 Acetoacetate0.02.3
HMDB00062 L-Carnitine19.019.1
HMDB00064 Creatine14.525.4
HMDB00094 Citric acid104.490.8
HMDB00097 Choline567.5575.6
HMDB00108 Ethanol16.19.7
HMDB00122 D-Glucose3935.14272.7
HMDB00123 Glycine297.1360.5
HMDB00131 Glycerol954.3786.9
HMDB00142 Formic acid31.825.8
HMDB00148 L-Glutamic acid355.7381.2
HMDB00157 Hypoxanthine27.625.5
HMDB00158 L-Tyrosine44.945.6
HMDB00159 L-Phenylalanine83.989.2
HMDB00161 L-Alanine496.1488.4
HMDB00162 L-Proline138.6182.5
HMDB00167 L-Threonine139.7147.6
HMDB00168 L-Asparagine0.00.0
HMDB00172 L-Isoleucine38.657.2
HMDB00177 L-Histidine97.895.4
HMDB00182 Lysine147.166.4
HMDB00187 L-Serine289.5206.5
HMDB00190 L-Lactic acid1268.51388.8
HMDB00191 L-Aspartic acid78.756.6
HMDB00214 Ornithine5.850.5
HMDB00243 Pyruvic acid0.02.8
HMDB00254 Succinic acid21.321.8
HMDB00357 3-Hydroxybutyric acid13.615.2
HMDB00517 L-Arginine115.7208.6
HMDB00562 Creatinine45.264.5
HMDB00641 L-Glutamine54.097.2
HMDB00687 L-Leucine158.2168.8
HMDB00691 Malonic acid4.29.6
HMDB00696 L-Methionine9.48.7
HMDB00863 Isopropanol20.023.8
HMDB00883 L-Valine159.3184.1
HMDB00929 L-Tryptophan15.00.0
HMDB01659 Acetone5.35.1
HMDB01873 Isobutyric acid8.86.5
HMDB01875 Methanol76.987.5
HMDB01881 Propylene glycol3.64.7
HMDB04983 Dimethylsulfone2.25.0