Auxiliary Material: biological_serum_9

Spectrum with Fit

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Quantities

HMDB IDCompound NameBayesil (µM)Expert (µM)
-DSS796.1796.1
HMDB00001 1-Methylhistidine31.122.2
HMDB00008 2-Hydroxybutyrate13.014.2
HMDB00042 Acetic acid35.943.9
HMDB00043 Betaine11.514.8
HMDB00060 Acetoacetate1.91.2
HMDB00062 L-Carnitine20.721.3
HMDB00064 Creatine21.527.7
HMDB00094 Citric acid81.270.6
HMDB00097 Choline6.27.0
HMDB00108 Ethanol15.912.1
HMDB00122 D-Glucose3906.23928.7
HMDB00123 Glycine130.1149.6
HMDB00131 Glycerol48.674.2
HMDB00142 Formic acid14.010.5
HMDB00148 L-Glutamic acid82.980.5
HMDB00157 Hypoxanthine7.30.0
HMDB00158 L-Tyrosine36.532.2
HMDB00159 L-Phenylalanine44.244.9
HMDB00161 L-Alanine273.4270.3
HMDB00162 L-Proline80.892.3
HMDB00167 L-Threonine139.3104.5
HMDB00168 L-Asparagine29.90.0
HMDB00172 L-Isoleucine43.554.0
HMDB00177 L-Histidine14.137.9
HMDB00182 Lysine98.170.4
HMDB00187 L-Serine201.5123.4
HMDB00190 L-Lactic acid1035.11149.0
HMDB00191 L-Aspartic acid39.022.6
HMDB00214 Ornithine0.927.9
HMDB00243 Pyruvic acid30.527.3
HMDB00254 Succinic acid5.24.4
HMDB00357 3-Hydroxybutyric acid16.216.3
HMDB00517 L-Arginine65.298.1
HMDB00562 Creatinine60.063.8
HMDB00641 L-Glutamine244.0226.3
HMDB00687 L-Leucine77.085.0
HMDB00691 Malonic acid4.78.9
HMDB00696 L-Methionine16.221.8
HMDB00863 Isopropanol16.517.1
HMDB00883 L-Valine129.4141.7
HMDB00929 L-Tryptophan10.20.0
HMDB01659 Acetone13.814.0
HMDB01873 Isobutyric acid2.13.7
HMDB01875 Methanol71.071.6
HMDB01881 Propylene glycol0.07.4
HMDB04983 Dimethylsulfone1.84.0