Auxiliary Material: biological_serum_43

Spectrum with Fit

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Quantities

HMDB IDCompound NameBayesil (µM)Expert (µM)
-DSS797.3797.3
HMDB00001 1-Methylhistidine26.815.5
HMDB00008 2-Hydroxybutyrate9.77.0
HMDB00042 Acetic acid33.541.2
HMDB00043 Betaine14.318.9
HMDB00060 Acetoacetate3.42.1
HMDB00062 L-Carnitine19.116.0
HMDB00064 Creatine18.222.6
HMDB00094 Citric acid74.560.7
HMDB00097 Choline4.65.6
HMDB00108 Ethanol64.174.7
HMDB00122 D-Glucose3346.53424.2
HMDB00123 Glycine120.6130.9
HMDB00131 Glycerol61.373.4
HMDB00142 Formic acid12.68.5
HMDB00148 L-Glutamic acid43.147.0
HMDB00157 Hypoxanthine11.50.0
HMDB00158 L-Tyrosine29.928.6
HMDB00159 L-Phenylalanine36.340.0
HMDB00161 L-Alanine293.4292.9
HMDB00162 L-Proline62.654.6
HMDB00167 L-Threonine139.0112.3
HMDB00168 L-Asparagine16.40.0
HMDB00172 L-Isoleucine20.025.4
HMDB00177 L-Histidine55.557.5
HMDB00182 Lysine101.9102.5
HMDB00187 L-Serine225.8111.5
HMDB00190 L-Lactic acid1251.01381.0
HMDB00191 L-Aspartic acid35.40.0
HMDB00214 Ornithine0.018.9
HMDB00243 Pyruvic acid28.627.7
HMDB00254 Succinic acid4.74.7
HMDB00357 3-Hydroxybutyric acid21.920.0
HMDB00517 L-Arginine50.154.4
HMDB00562 Creatinine37.036.1
HMDB00641 L-Glutamine306.6302.2
HMDB00687 L-Leucine43.750.5
HMDB00691 Malonic acid6.46.0
HMDB00696 L-Methionine16.916.8
HMDB00863 Isopropanol8.05.2
HMDB00883 L-Valine95.5107.2
HMDB00929 L-Tryptophan12.80.0
HMDB01659 Acetone11.210.8
HMDB01873 Isobutyric acid2.23.2
HMDB01875 Methanol138.0134.6
HMDB01881 Propylene glycol0.03.4
HMDB04983 Dimethylsulfone3.44.8