Auxiliary Material: biological_serum_17

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
-DSS797.5797.5
HMDB00001 1-Methylhistidine76.833.9
HMDB00008 2-Hydroxybutyrate13.713.8
HMDB00042 Acetic acid49.756.0
HMDB00043 Betaine15.316.2
HMDB00060 Acetoacetate0.52.8
HMDB00062 L-Carnitine26.919.8
HMDB00064 Creatine31.549.9
HMDB00094 Citric acid105.082.6
HMDB00097 Choline5.56.4
HMDB00108 Ethanol13.99.3
HMDB00122 D-Glucose3515.83607.9
HMDB00123 Glycine101.4133.0
HMDB00131 Glycerol131.088.4
HMDB00142 Formic acid14.912.5
HMDB00148 L-Glutamic acid52.355.6
HMDB00157 Hypoxanthine8.00.0
HMDB00158 L-Tyrosine42.242.6
HMDB00159 L-Phenylalanine41.053.2
HMDB00161 L-Alanine336.4336.0
HMDB00162 L-Proline120.1109.0
HMDB00167 L-Threonine79.8147.3
HMDB00168 L-Asparagine40.468.2
HMDB00172 L-Isoleucine54.263.0
HMDB00177 L-Histidine31.650.6
HMDB00182 Lysine96.675.1
HMDB00187 L-Serine207.5109.4
HMDB00190 L-Lactic acid1239.91358.1
HMDB00191 L-Aspartic acid62.90.0
HMDB00214 Ornithine0.027.8
HMDB00243 Pyruvic acid50.850.7
HMDB00254 Succinic acid4.45.1
HMDB00357 3-Hydroxybutyric acid28.731.2
HMDB00517 L-Arginine22.473.0
HMDB00562 Creatinine49.045.6
HMDB00641 L-Glutamine222.5227.2
HMDB00687 L-Leucine84.898.5
HMDB00691 Malonic acid9.813.2
HMDB00696 L-Methionine29.627.7
HMDB00863 Isopropanol3.54.2
HMDB00883 L-Valine178.0183.2
HMDB00929 L-Tryptophan16.30.0
HMDB01659 Acetone23.321.7
HMDB01873 Isobutyric acid3.15.9
HMDB01875 Methanol68.461.1
HMDB01881 Propylene glycol5.610.2
HMDB04983 Dimethylsulfone0.63.8