Auxiliary Material: biological_serum_11

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
-DSS792.9792.9
HMDB00001 1-Methylhistidine39.426.6
HMDB00008 2-Hydroxybutyrate30.732.3
HMDB00042 Acetic acid47.556.6
HMDB00043 Betaine16.014.6
HMDB00060 Acetoacetate0.02.9
HMDB00062 L-Carnitine27.221.1
HMDB00064 Creatine48.258.2
HMDB00094 Citric acid79.669.4
HMDB00097 Choline16.018.3
HMDB00108 Ethanol12.96.0
HMDB00122 D-Glucose3780.83806.1
HMDB00123 Glycine72.298.5
HMDB00131 Glycerol153.1155.6
HMDB00142 Formic acid18.110.6
HMDB00148 L-Glutamic acid96.585.1
HMDB00157 Hypoxanthine8.80.0
HMDB00158 L-Tyrosine59.764.9
HMDB00159 L-Phenylalanine50.855.6
HMDB00161 L-Alanine284.5289.0
HMDB00162 L-Proline96.596.8
HMDB00167 L-Threonine133.4110.5
HMDB00168 L-Asparagine49.50.0
HMDB00172 L-Isoleucine55.070.4
HMDB00177 L-Histidine32.633.8
HMDB00182 Lysine121.8112.3
HMDB00187 L-Serine272.1113.9
HMDB00190 L-Lactic acid1094.01212.9
HMDB00191 L-Aspartic acid39.80.0
HMDB00214 Ornithine0.030.4
HMDB00243 Pyruvic acid25.427.7
HMDB00254 Succinic acid2.83.2
HMDB00357 3-Hydroxybutyric acid21.321.9
HMDB00517 L-Arginine78.492.2
HMDB00562 Creatinine33.933.4
HMDB00641 L-Glutamine308.5292.3
HMDB00687 L-Leucine100.294.3
HMDB00691 Malonic acid8.912.9
HMDB00696 L-Methionine21.820.2
HMDB00863 Isopropanol12.212.4
HMDB00883 L-Valine174.2189.5
HMDB00929 L-Tryptophan15.70.0
HMDB01659 Acetone17.317.9
HMDB01873 Isobutyric acid11.011.5
HMDB01875 Methanol51.351.7
HMDB01881 Propylene glycol6.26.3
HMDB04983 Dimethylsulfone4.37.1