Auxiliary Material: biological_serum_45

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00001 1-Methylhistidine124.246.2
HMDB00008 2-Hydroxybutyrate7.912.2
HMDB00042 Acetic acid11.716.2
HMDB00043 Betaine18.220.5
HMDB00060 Acetoacetate0.01.3
HMDB00062 L-Carnitine37.426.5
HMDB00064 Creatine50.162.6
HMDB00094 Citric acid94.571.7
HMDB00097 Choline7.311.7
HMDB00108 Ethanol12.95.9
HMDB00122 D-Glucose3933.83965.3
HMDB00123 Glycine141.7109.0
HMDB00131 Glycerol199.0152.5
HMDB00142 Formic acid19.816.9
HMDB00148 L-Glutamic acid34.561.9
HMDB00157 Hypoxanthine8.90.0
HMDB00158 L-Tyrosine54.958.7
HMDB00159 L-Phenylalanine46.947.5
HMDB00161 L-Alanine335.0346.6
HMDB00162 L-Proline105.0128.4
HMDB00167 L-Threonine84.0140.9
HMDB00168 L-Asparagine26.60.0
HMDB00172 L-Isoleucine81.698.2
HMDB00177 L-Histidine9.049.7
HMDB00182 Lysine200.4224.6
HMDB00187 L-Serine86.578.4
HMDB00190 L-Lactic acid707.2757.2
HMDB00191 L-Aspartic acid66.80.0
HMDB00214 Ornithine0.032.6
HMDB00243 Pyruvic acid33.533.7
HMDB00254 Succinic acid5.95.2
HMDB00357 3-Hydroxybutyric acid18.720.7
HMDB00517 L-Arginine15.7126.3
HMDB00562 Creatinine48.644.2
HMDB00641 L-Glutamine331.4243.9
HMDB00687 L-Leucine143.1159.2
HMDB00691 Malonic acid2.68.2
HMDB00696 L-Methionine28.036.5
HMDB00863 Isopropanol6.36.4
HMDB00883 L-Valine194.2223.2
HMDB00929 L-Tryptophan12.80.0
HMDB01659 Acetone24.824.0
HMDB01873 Isobutyric acid3.77.0
HMDB01875 Methanol63.461.2
HMDB01881 Propylene glycol5.79.9
HMDB04983 Dimethylsulfone2.24.1