Auxiliary Material: def_mix_serum_4

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00042 Acetic acid46.547.1
HMDB00043 Betaine21.65.4
HMDB00060 Acetoacetate17.316.5
HMDB00064 Creatine23.010.6
HMDB00094 Citric acid61.167.2
HMDB00097 Choline13.79.0
HMDB00108 Ethanol535.2529.4
HMDB00122 D-Glucose3042.43012.2
HMDB00123 Glycine89.665.3
HMDB00131 Glycerol923.5602.7
HMDB00142 Formic acid33.932.7
HMDB00148 L-Glutamic acid54.648.2
HMDB00157 Hypoxanthine7.69.7
HMDB00158 L-Tyrosine25.527.9
HMDB00159 L-Phenylalanine39.443.5
HMDB00161 L-Alanine330.2324.7
HMDB00162 L-Proline103.3122.2
HMDB00167 L-Threonine36.457.8
HMDB00172 L-Isoleucine9.711.7
HMDB00177 L-Histidine66.774.0
HMDB00182 Lysine22.756.3
HMDB00187 L-Serine352.388.5
HMDB00190 L-Lactic acid525.9534.9
HMDB00191 L-Aspartic acid110.111.9
HMDB00214 Ornithine41.015.3
HMDB00243 Pyruvic acid20.023.3
HMDB00254 Succinic acid6.12.9
HMDB00267 Pyroglutamic acid112.5164.3
HMDB00357 3-Hydroxybutyric acid44.219.4
HMDB00517 L-Arginine29.770.1
HMDB00562 Creatinine26.628.4
HMDB00641 L-Glutamine76.189.7
HMDB00687 L-Leucine46.450.8
HMDB00691 Malonic acid29.022.7
HMDB00696 L-Methionine19.820.9
HMDB00863 Isopropanol35.738.6
HMDB00883 L-Valine74.782.7
HMDB00929 L-Tryptophan11.30.0
HMDB01659 Acetone46.346.4
HMDB01873 Isobutyric acid3.31.0
HMDB01875 Methanol115.3125.7
HMDB01881 Propylene glycol0.09.8
HMDB04983 Dimethylsulfone10.73.7