Auxiliary Material: biological_serum_6

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00001 1-Methylhistidine21.010.1
HMDB00008 2-Hydroxybutyrate19.219.5
HMDB00042 Acetic acid50.153.2
HMDB00043 Betaine20.116.7
HMDB00060 Acetoacetate2.60.8
HMDB00062 L-Carnitine31.127.0
HMDB00064 Creatine18.726.1
HMDB00094 Citric acid65.162.0
HMDB00097 Choline9.710.5
HMDB00108 Ethanol11.512.4
HMDB00122 D-Glucose3051.83290.2
HMDB00123 Glycine185.5208.3
HMDB00131 Glycerol149.6132.2
HMDB00142 Formic acid7.40.0
HMDB00148 L-Glutamic acid69.056.6
HMDB00157 Hypoxanthine11.00.0
HMDB00158 L-Tyrosine35.427.5
HMDB00159 L-Phenylalanine38.134.4
HMDB00161 L-Alanine195.3192.4
HMDB00162 L-Proline85.655.5
HMDB00167 L-Threonine93.464.7
HMDB00168 L-Asparagine44.10.0
HMDB00172 L-Isoleucine27.932.2
HMDB00177 L-Histidine40.738.7
HMDB00182 Lysine59.678.3
HMDB00187 L-Serine147.860.3
HMDB00190 L-Lactic acid1029.01152.9
HMDB00191 L-Aspartic acid39.716.6
HMDB00214 Ornithine0.014.4
HMDB00243 Pyruvic acid13.512.8
HMDB00254 Succinic acid5.75.3
HMDB00357 3-Hydroxybutyric acid28.529.7
HMDB00517 L-Arginine69.567.2
HMDB00562 Creatinine44.738.0
HMDB00641 L-Glutamine266.2266.4
HMDB00687 L-Leucine57.357.1
HMDB00691 Malonic acid12.811.9
HMDB00696 L-Methionine10.810.2
HMDB00863 Isopropanol12.112.1
HMDB00883 L-Valine108.4115.6
HMDB00929 L-Tryptophan11.60.0
HMDB01659 Acetone12.012.7
HMDB01873 Isobutyric acid5.04.0
HMDB01875 Methanol191.0193.4
HMDB01881 Propylene glycol10.55.9
HMDB04983 Dimethylsulfone1.71.9