Auxiliary Material: biological_serum_40

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00001 1-Methylhistidine44.611.7
HMDB00008 2-Hydroxybutyrate7.112.7
HMDB00042 Acetic acid21.225.8
HMDB00043 Betaine23.121.8
HMDB00060 Acetoacetate0.02.3
HMDB00062 L-Carnitine28.423.0
HMDB00064 Creatine17.224.3
HMDB00094 Citric acid79.265.8
HMDB00097 Choline8.610.3
HMDB00108 Ethanol12.58.6
HMDB00122 D-Glucose3781.94031.4
HMDB00123 Glycine132.4150.7
HMDB00131 Glycerol100.085.5
HMDB00142 Formic acid15.40.0
HMDB00148 L-Glutamic acid63.160.6
HMDB00157 Hypoxanthine8.80.0
HMDB00158 L-Tyrosine42.739.1
HMDB00159 L-Phenylalanine37.938.1
HMDB00161 L-Alanine272.2270.6
HMDB00162 L-Proline97.180.9
HMDB00167 L-Threonine88.691.9
HMDB00168 L-Asparagine21.70.0
HMDB00172 L-Isoleucine29.342.7
HMDB00177 L-Histidine38.751.4
HMDB00182 Lysine104.658.6
HMDB00187 L-Serine155.9132.7
HMDB00190 L-Lactic acid948.61039.6
HMDB00191 L-Aspartic acid33.50.0
HMDB00214 Ornithine1.328.6
HMDB00243 Pyruvic acid45.145.6
HMDB00254 Succinic acid2.83.3
HMDB00357 3-Hydroxybutyric acid17.315.4
HMDB00517 L-Arginine51.640.4
HMDB00562 Creatinine39.542.9
HMDB00641 L-Glutamine310.5321.0
HMDB00687 L-Leucine64.369.9
HMDB00691 Malonic acid13.315.5
HMDB00696 L-Methionine17.017.4
HMDB00863 Isopropanol5.54.3
HMDB00883 L-Valine123.5132.6
HMDB00929 L-Tryptophan11.40.0
HMDB01659 Acetone14.014.7
HMDB01873 Isobutyric acid6.26.1
HMDB01875 Methanol70.072.6
HMDB01881 Propylene glycol4.73.3
HMDB04983 Dimethylsulfone1.43.8