Auxiliary Material: def_mix_serum_1

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00042 Acetic acid52.249.4
HMDB00043 Betaine8.53.0
HMDB00060 Acetoacetate18.118.1
HMDB00064 Creatine11.412.3
HMDB00094 Citric acid71.873.7
HMDB00097 Choline10.412.4
HMDB00108 Ethanol607.1626.1
HMDB00122 D-Glucose3008.53164.3
HMDB00123 Glycine68.873.0
HMDB00131 Glycerol912.9659.1
HMDB00142 Formic acid41.037.9
HMDB00148 L-Glutamic acid35.847.5
HMDB00157 Hypoxanthine9.19.4
HMDB00158 L-Tyrosine27.328.3
HMDB00159 L-Phenylalanine37.941.6
HMDB00161 L-Alanine344.3338.7
HMDB00162 L-Proline113.8131.5
HMDB00167 L-Threonine54.360.6
HMDB00172 L-Isoleucine7.911.1
HMDB00177 L-Histidine68.881.0
HMDB00182 Lysine58.163.6
HMDB00187 L-Serine332.696.8
HMDB00190 L-Lactic acid1020.01118.5
HMDB00191 L-Aspartic acid40.213.4
HMDB00214 Ornithine24.821.9
HMDB00243 Pyruvic acid19.824.7
HMDB00254 Succinic acid2.14.1
HMDB00267 Pyroglutamic acid159.2171.6
HMDB00357 3-Hydroxybutyric acid23.925.3
HMDB00517 L-Arginine51.156.0
HMDB00562 Creatinine31.629.2
HMDB00641 L-Glutamine70.196.4
HMDB00687 L-Leucine52.354.2
HMDB00691 Malonic acid16.820.0
HMDB00696 L-Methionine26.022.3
HMDB00863 Isopropanol41.937.6
HMDB00883 L-Valine85.491.8
HMDB00929 L-Tryptophan8.30.0
HMDB01659 Acetone51.149.1
HMDB01873 Isobutyric acid1.91.0
HMDB01875 Methanol128.7135.2
HMDB01881 Propylene glycol9.812.0
HMDB04983 Dimethylsulfone3.82.1