Auxiliary Material: biological_serum_47

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
-DSS794.8794.8
HMDB00001 1-Methylhistidine28.614.7
HMDB00008 2-Hydroxybutyrate38.036.1
HMDB00042 Acetic acid64.364.9
HMDB00043 Betaine12.017.5
HMDB00060 Acetoacetate0.02.0
HMDB00062 L-Carnitine15.711.6
HMDB00064 Creatine31.737.2
HMDB00094 Citric acid97.782.7
HMDB00097 Choline6.27.5
HMDB00108 Ethanol4.313.1
HMDB00122 D-Glucose3953.43943.6
HMDB00123 Glycine112.9125.4
HMDB00131 Glycerol154.2140.8
HMDB00142 Formic acid9.80.0
HMDB00148 L-Glutamic acid45.155.1
HMDB00157 Hypoxanthine6.70.0
HMDB00158 L-Tyrosine31.327.2
HMDB00159 L-Phenylalanine36.135.7
HMDB00161 L-Alanine253.0246.6
HMDB00162 L-Proline60.477.7
HMDB00167 L-Threonine110.796.8
HMDB00168 L-Asparagine34.90.0
HMDB00172 L-Isoleucine23.331.1
HMDB00177 L-Histidine35.533.6
HMDB00182 Lysine75.983.6
HMDB00187 L-Serine167.055.0
HMDB00190 L-Lactic acid884.2965.4
HMDB00191 L-Aspartic acid45.618.5
HMDB00214 Ornithine0.014.5
HMDB00243 Pyruvic acid17.723.5
HMDB00254 Succinic acid3.84.8
HMDB00357 3-Hydroxybutyric acid274.7292.9
HMDB00517 L-Arginine55.2110.3
HMDB00562 Creatinine35.529.7
HMDB00641 L-Glutamine257.7323.6
HMDB00687 L-Leucine48.849.9
HMDB00691 Malonic acid8.16.5
HMDB00696 L-Methionine20.414.6
HMDB00863 Isopropanol10.89.8
HMDB00883 L-Valine93.8102.5
HMDB00929 L-Tryptophan6.40.0
HMDB01659 Acetone83.284.4
HMDB01873 Isobutyric acid5.23.5
HMDB01875 Methanol48.149.0
HMDB01881 Propylene glycol6.26.8
HMDB04983 Dimethylsulfone2.42.7