Auxiliary Material: biological_serum_46

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00001 1-Methylhistidine116.552.3
HMDB00008 2-Hydroxybutyrate23.125.1
HMDB00042 Acetic acid108.9117.1
HMDB00043 Betaine32.931.0
HMDB00060 Acetoacetate0.01.3
HMDB00062 L-Carnitine46.430.8
HMDB00064 Creatine23.126.0
HMDB00094 Citric acid82.051.4
HMDB00097 Choline12.314.9
HMDB00108 Ethanol44.251.9
HMDB00122 D-Glucose5734.55472.3
HMDB00123 Glycine133.2214.7
HMDB00131 Glycerol213.5186.8
HMDB00142 Formic acid12.411.0
HMDB00148 L-Glutamic acid99.8110.6
HMDB00157 Hypoxanthine12.10.0
HMDB00158 L-Tyrosine44.244.3
HMDB00159 L-Phenylalanine56.866.5
HMDB00161 L-Alanine330.7328.9
HMDB00162 L-Proline81.0118.5
HMDB00167 L-Threonine72.6100.2
HMDB00168 L-Asparagine55.10.0
HMDB00172 L-Isoleucine33.847.3
HMDB00177 L-Histidine10.026.1
HMDB00182 Lysine121.3115.3
HMDB00187 L-Serine348.5109.3
HMDB00190 L-Lactic acid1638.11770.1
HMDB00191 L-Aspartic acid57.438.9
HMDB00214 Ornithine0.030.7
HMDB00243 Pyruvic acid20.720.9
HMDB00254 Succinic acid5.56.2
HMDB00357 3-Hydroxybutyric acid18.921.2
HMDB00517 L-Arginine100.7162.2
HMDB00562 Creatinine39.140.0
HMDB00641 L-Glutamine263.2273.9
HMDB00687 L-Leucine83.6100.0
HMDB00691 Malonic acid6.48.2
HMDB00696 L-Methionine4.215.4
HMDB00863 Isopropanol37.830.7
HMDB00883 L-Valine145.5142.7
HMDB00929 L-Tryptophan18.90.0
HMDB01659 Acetone10.310.2
HMDB01873 Isobutyric acid6.87.1
HMDB01875 Methanol83.695.9
HMDB01881 Propylene glycol0.07.7
HMDB04983 Dimethylsulfone2.66.1