Auxiliary Material: biological_serum_24

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
-DSS795.9795.9
HMDB00001 1-Methylhistidine22.326.4
HMDB00008 2-Hydroxybutyrate12.715.1
HMDB00042 Acetic acid82.687.4
HMDB00043 Betaine27.622.4
HMDB00060 Acetoacetate0.02.0
HMDB00062 L-Carnitine18.517.6
HMDB00064 Creatine11.216.5
HMDB00094 Citric acid82.472.3
HMDB00097 Choline2.95.7
HMDB00108 Ethanol15.711.4
HMDB00122 D-Glucose4207.64445.8
HMDB00123 Glycine104.6117.2
HMDB00131 Glycerol87.396.6
HMDB00142 Formic acid12.68.2
HMDB00148 L-Glutamic acid92.5108.6
HMDB00157 Hypoxanthine7.80.0
HMDB00158 L-Tyrosine34.130.4
HMDB00159 L-Phenylalanine29.936.7
HMDB00161 L-Alanine310.0306.7
HMDB00162 L-Proline106.688.3
HMDB00167 L-Threonine110.885.7
HMDB00168 L-Asparagine42.70.0
HMDB00172 L-Isoleucine26.436.3
HMDB00177 L-Histidine55.234.3
HMDB00182 Lysine44.554.0
HMDB00187 L-Serine198.887.0
HMDB00190 L-Lactic acid1480.31624.5
HMDB00191 L-Aspartic acid39.10.0
HMDB00214 Ornithine0.021.9
HMDB00243 Pyruvic acid37.237.9
HMDB00254 Succinic acid2.72.9
HMDB00357 3-Hydroxybutyric acid27.626.4
HMDB00517 L-Arginine55.444.6
HMDB00562 Creatinine44.347.2
HMDB00641 L-Glutamine208.7230.8
HMDB00687 L-Leucine38.240.3
HMDB00691 Malonic acid9.610.0
HMDB00696 L-Methionine16.713.8
HMDB00863 Isopropanol8.25.9
HMDB00883 L-Valine81.791.3
HMDB00929 L-Tryptophan9.70.0
HMDB01659 Acetone10.110.4
HMDB01873 Isobutyric acid3.63.8
HMDB01875 Methanol86.684.2
HMDB01881 Propylene glycol6.66.3
HMDB04983 Dimethylsulfone2.21.9