Auxiliary Material: biological_serum_18

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
-DSS797.0797.0
HMDB00001 1-Methylhistidine39.017.3
HMDB00008 2-Hydroxybutyrate28.836.1
HMDB00042 Acetic acid41.244.1
HMDB00043 Betaine10.313.6
HMDB00060 Acetoacetate0.08.4
HMDB00062 L-Carnitine16.014.8
HMDB00064 Creatine13.225.2
HMDB00094 Citric acid78.982.5
HMDB00097 Choline7.38.5
HMDB00108 Ethanol18.834.8
HMDB00122 D-Glucose3376.83401.9
HMDB00123 Glycine143.4165.2
HMDB00131 Glycerol179.4157.5
HMDB00142 Formic acid11.30.0
HMDB00148 L-Glutamic acid68.073.0
HMDB00157 Hypoxanthine10.60.0
HMDB00158 L-Tyrosine46.440.8
HMDB00159 L-Phenylalanine36.044.7
HMDB00161 L-Alanine246.3237.2
HMDB00162 L-Proline66.773.2
HMDB00167 L-Threonine100.096.3
HMDB00168 L-Asparagine20.90.0
HMDB00172 L-Isoleucine26.040.7
HMDB00177 L-Histidine53.437.7
HMDB00182 Lysine72.990.2
HMDB00187 L-Serine115.154.0
HMDB00190 L-Lactic acid1098.41193.3
HMDB00191 L-Aspartic acid37.00.0
HMDB00214 Ornithine0.021.7
HMDB00243 Pyruvic acid50.050.4
HMDB00254 Succinic acid2.04.5
HMDB00357 3-Hydroxybutyric acid390.0428.3
HMDB00517 L-Arginine62.089.1
HMDB00562 Creatinine49.645.0
HMDB00641 L-Glutamine240.6309.2
HMDB00687 L-Leucine60.467.2
HMDB00691 Malonic acid6.68.2
HMDB00696 L-Methionine18.416.9
HMDB00863 Isopropanol9.38.4
HMDB00883 L-Valine111.7120.0
HMDB00929 L-Tryptophan14.60.0
HMDB01659 Acetone138.7136.9
HMDB01873 Isobutyric acid6.07.1
HMDB01875 Methanol29.629.7
HMDB01881 Propylene glycol0.014.0
HMDB04983 Dimethylsulfone1.13.2