Auxiliary Material: def_mix_serum_5

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00042 Acetic acid51.049.7
HMDB00043 Betaine1.44.9
HMDB00060 Acetoacetate20.116.9
HMDB00064 Creatine8.09.5
HMDB00094 Citric acid62.157.1
HMDB00097 Choline12.59.2
HMDB00108 Ethanol567.4593.8
HMDB00122 D-Glucose3153.03166.9
HMDB00123 Glycine60.670.2
HMDB00131 Glycerol847.9633.6
HMDB00142 Formic acid35.334.2
HMDB00148 L-Glutamic acid46.550.6
HMDB00157 Hypoxanthine8.79.0
HMDB00158 L-Tyrosine26.531.1
HMDB00159 L-Phenylalanine44.543.4
HMDB00161 L-Alanine345.7339.2
HMDB00162 L-Proline111.0156.1
HMDB00167 L-Threonine80.569.4
HMDB00172 L-Isoleucine9.712.8
HMDB00177 L-Histidine76.977.4
HMDB00182 Lysine65.665.4
HMDB00187 L-Serine252.082.1
HMDB00190 L-Lactic acid1074.11122.6
HMDB00191 L-Aspartic acid17.711.5
HMDB00214 Ornithine19.731.4
HMDB00243 Pyruvic acid19.023.3
HMDB00254 Succinic acid3.13.8
HMDB00267 Pyroglutamic acid161.5184.0
HMDB00357 3-Hydroxybutyric acid28.821.4
HMDB00517 L-Arginine50.577.1
HMDB00562 Creatinine23.428.4
HMDB00641 L-Glutamine70.387.8
HMDB00687 L-Leucine50.154.9
HMDB00691 Malonic acid8.223.1
HMDB00696 L-Methionine23.722.8
HMDB00863 Isopropanol48.740.7
HMDB00883 L-Valine93.6100.2
HMDB00929 L-Tryptophan12.10.0
HMDB01659 Acetone49.447.7
HMDB01873 Isobutyric acid3.70.9
HMDB01875 Methanol133.8129.0
HMDB01881 Propylene glycol14.311.0
HMDB04983 Dimethylsulfone1.32.8