Auxiliary Material: def_mix_serum_3

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00042 Acetic acid47.948.6
HMDB00043 Betaine8.64.6
HMDB00060 Acetoacetate16.915.1
HMDB00064 Creatine10.811.2
HMDB00094 Citric acid64.263.0
HMDB00097 Choline9.88.9
HMDB00108 Ethanol529.1577.7
HMDB00122 D-Glucose2966.23137.3
HMDB00123 Glycine59.567.0
HMDB00131 Glycerol855.5625.2
HMDB00142 Formic acid34.633.5
HMDB00148 L-Glutamic acid47.047.3
HMDB00157 Hypoxanthine9.88.8
HMDB00158 L-Tyrosine26.127.7
HMDB00159 L-Phenylalanine40.041.2
HMDB00161 L-Alanine335.8334.3
HMDB00162 L-Proline94.3120.1
HMDB00167 L-Threonine49.658.4
HMDB00172 L-Isoleucine8.611.8
HMDB00177 L-Histidine70.778.8
HMDB00182 Lysine67.870.1
HMDB00187 L-Serine300.981.5
HMDB00190 L-Lactic acid1003.61103.4
HMDB00191 L-Aspartic acid17.918.4
HMDB00214 Ornithine12.924.7
HMDB00243 Pyruvic acid20.222.2
HMDB00254 Succinic acid5.22.1
HMDB00267 Pyroglutamic acid154.7180.7
HMDB00357 3-Hydroxybutyric acid34.027.6
HMDB00517 L-Arginine37.349.5
HMDB00562 Creatinine27.827.1
HMDB00641 L-Glutamine69.492.7
HMDB00687 L-Leucine46.651.3
HMDB00691 Malonic acid7.022.1
HMDB00696 L-Methionine21.721.5
HMDB00863 Isopropanol55.739.7
HMDB00883 L-Valine78.186.8
HMDB00929 L-Tryptophan11.50.0
HMDB01659 Acetone47.245.4
HMDB01873 Isobutyric acid2.01.1
HMDB01875 Methanol115.0125.1
HMDB01881 Propylene glycol0.011.5
HMDB04983 Dimethylsulfone1.63.1