Auxiliary Material: biological_serum_19

Spectrum with Fit

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Quantities

HMDB IDCompound NameBayesil (µM)Expert (µM)
-DSS795.9795.9
HMDB00001 1-Methylhistidine47.226.0
HMDB00008 2-Hydroxybutyrate17.422.9
HMDB00042 Acetic acid32.938.2
HMDB00043 Betaine15.421.7
HMDB00060 Acetoacetate1.42.0
HMDB00062 L-Carnitine27.920.0
HMDB00064 Creatine28.135.6
HMDB00094 Citric acid88.780.7
HMDB00097 Choline7.18.0
HMDB00108 Ethanol58.378.4
HMDB00122 D-Glucose4595.44546.7
HMDB00123 Glycine131.3157.0
HMDB00131 Glycerol48.487.2
HMDB00142 Formic acid13.311.7
HMDB00148 L-Glutamic acid108.897.9
HMDB00157 Hypoxanthine4.50.0
HMDB00158 L-Tyrosine44.947.1
HMDB00159 L-Phenylalanine44.248.3
HMDB00161 L-Alanine286.3284.9
HMDB00162 L-Proline80.986.8
HMDB00167 L-Threonine69.977.6
HMDB00168 L-Asparagine10.931.3
HMDB00172 L-Isoleucine45.558.4
HMDB00177 L-Histidine28.735.1
HMDB00182 Lysine103.482.3
HMDB00187 L-Serine262.364.2
HMDB00190 L-Lactic acid1049.41130.0
HMDB00191 L-Aspartic acid24.00.0
HMDB00214 Ornithine3.129.8
HMDB00243 Pyruvic acid61.265.3
HMDB00254 Succinic acid1.82.6
HMDB00357 3-Hydroxybutyric acid17.221.7
HMDB00517 L-Arginine67.959.9
HMDB00562 Creatinine52.055.3
HMDB00641 L-Glutamine260.5276.3
HMDB00687 L-Leucine75.874.1
HMDB00691 Malonic acid3.16.6
HMDB00696 L-Methionine22.522.2
HMDB00863 Isopropanol5.86.0
HMDB00883 L-Valine122.4137.6
HMDB00929 L-Tryptophan10.40.0
HMDB01659 Acetone20.319.8
HMDB01873 Isobutyric acid6.47.9
HMDB01875 Methanol99.2102.1
HMDB01881 Propylene glycol11.78.3
HMDB04983 Dimethylsulfone1.05.1