Auxiliary Material: def_mix_serum_2

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00042 Acetic acid51.451.9
HMDB00043 Betaine21.44.0
HMDB00060 Acetoacetate15.914.1
HMDB00064 Creatine31.812.1
HMDB00094 Citric acid67.370.3
HMDB00097 Choline14.48.5
HMDB00108 Ethanol599.7619.8
HMDB00122 D-Glucose3346.63229.8
HMDB00123 Glycine120.771.2
HMDB00131 Glycerol827.0538.2
HMDB00142 Formic acid38.337.5
HMDB00148 L-Glutamic acid41.451.1
HMDB00157 Hypoxanthine8.19.1
HMDB00158 L-Tyrosine26.730.9
HMDB00159 L-Phenylalanine43.940.1
HMDB00161 L-Alanine363.7360.7
HMDB00162 L-Proline81.4120.0
HMDB00167 L-Threonine94.356.9
HMDB00172 L-Isoleucine9.813.1
HMDB00177 L-Histidine75.485.1
HMDB00182 Lysine40.873.0
HMDB00187 L-Serine438.786.7
HMDB00190 L-Lactic acid1053.61188.7
HMDB00191 L-Aspartic acid48.216.7
HMDB00214 Ornithine43.225.2
HMDB00243 Pyruvic acid21.723.0
HMDB00254 Succinic acid4.44.4
HMDB00267 Pyroglutamic acid160.4194.1
HMDB00357 3-Hydroxybutyric acid46.529.6
HMDB00517 L-Arginine78.465.8
HMDB00562 Creatinine28.130.4
HMDB00641 L-Glutamine76.591.0
HMDB00687 L-Leucine49.855.8
HMDB00691 Malonic acid34.624.4
HMDB00696 L-Methionine23.323.0
HMDB00863 Isopropanol47.142.3
HMDB00883 L-Valine83.993.6
HMDB00929 L-Tryptophan13.90.0
HMDB01659 Acetone48.947.7
HMDB01873 Isobutyric acid3.31.0
HMDB01875 Methanol116.9132.7
HMDB01881 Propylene glycol20.012.7
HMDB04983 Dimethylsulfone10.83.8