Auxiliary Material: biological_serum_16

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00001 1-Methylhistidine70.533.1
HMDB00008 2-Hydroxybutyrate33.032.0
HMDB00042 Acetic acid98.7113.8
HMDB00043 Betaine16.423.9
HMDB00060 Acetoacetate0.03.2
HMDB00062 L-Carnitine22.121.8
HMDB00064 Creatine32.845.9
HMDB00094 Citric acid70.753.8
HMDB00097 Choline596.8597.0
HMDB00108 Ethanol0.029.7
HMDB00122 D-Glucose3298.93595.4
HMDB00123 Glycine388.2449.1
HMDB00131 Glycerol967.3791.5
HMDB00142 Formic acid30.827.5
HMDB00148 L-Glutamic acid444.0458.1
HMDB00157 Hypoxanthine15.414.5
HMDB00158 L-Tyrosine75.274.9
HMDB00159 L-Phenylalanine136.6148.7
HMDB00161 L-Alanine565.0548.7
HMDB00162 L-Proline171.5190.0
HMDB00167 L-Threonine164.7179.3
HMDB00168 L-Asparagine0.00.0
HMDB00172 L-Isoleucine61.092.7
HMDB00177 L-Histidine64.8128.6
HMDB00182 Lysine220.648.7
HMDB00187 L-Serine597.6316.9
HMDB00190 L-Lactic acid1277.61369.3
HMDB00191 L-Aspartic acid131.8124.6
HMDB00214 Ornithine24.878.5
HMDB00243 Pyruvic acid4.84.5
HMDB00254 Succinic acid40.311.1
HMDB00357 3-Hydroxybutyric acid20.921.3
HMDB00517 L-Arginine164.4320.7
HMDB00562 Creatinine28.664.8
HMDB00641 L-Glutamine153.0215.0
HMDB00687 L-Leucine239.3264.9
HMDB00691 Malonic acid15.715.3
HMDB00696 L-Methionine11.713.4
HMDB00863 Isopropanol53.856.5
HMDB00883 L-Valine206.4236.6
HMDB00929 L-Tryptophan26.90.0
HMDB01659 Acetone18.418.1
HMDB01873 Isobutyric acid7.49.1
HMDB01875 Methanol136.1129.3
HMDB01881 Propylene glycol92.294.1
HMDB04983 Dimethylsulfone3.62.7