Auxiliary Material: biological_serum_26

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
-DSS797.3797.3
HMDB00001 1-Methylhistidine52.646.3
HMDB00008 2-Hydroxybutyrate14.618.0
HMDB00042 Acetic acid62.467.2
HMDB00043 Betaine18.819.0
HMDB00060 Acetoacetate3.63.3
HMDB00062 L-Carnitine22.627.5
HMDB00064 Creatine43.351.4
HMDB00094 Citric acid74.272.0
HMDB00097 Choline6.66.1
HMDB00108 Ethanol14.38.4
HMDB00122 D-Glucose3854.53781.8
HMDB00123 Glycine179.5190.6
HMDB00131 Glycerol48.875.8
HMDB00142 Formic acid15.311.0
HMDB00148 L-Glutamic acid90.9138.9
HMDB00157 Hypoxanthine11.30.0
HMDB00158 L-Tyrosine35.832.8
HMDB00159 L-Phenylalanine48.451.9
HMDB00161 L-Alanine339.1355.1
HMDB00162 L-Proline143.1148.5
HMDB00167 L-Threonine124.9119.4
HMDB00168 L-Asparagine34.734.9
HMDB00172 L-Isoleucine39.754.2
HMDB00177 L-Histidine17.724.2
HMDB00182 Lysine98.152.0
HMDB00187 L-Serine174.691.8
HMDB00190 L-Lactic acid1485.61705.5
HMDB00191 L-Aspartic acid49.036.4
HMDB00214 Ornithine0.635.7
HMDB00243 Pyruvic acid35.738.7
HMDB00254 Succinic acid4.55.6
HMDB00357 3-Hydroxybutyric acid26.025.9
HMDB00517 L-Arginine66.8106.3
HMDB00562 Creatinine41.448.1
HMDB00641 L-Glutamine241.8281.0
HMDB00687 L-Leucine77.895.2
HMDB00691 Malonic acid17.48.7
HMDB00696 L-Methionine16.116.6
HMDB00863 Isopropanol3.42.7
HMDB00883 L-Valine128.6147.8
HMDB00929 L-Tryptophan14.00.0
HMDB01659 Acetone13.013.6
HMDB01873 Isobutyric acid2.55.6
HMDB01875 Methanol84.387.4
HMDB01881 Propylene glycol8.85.3
HMDB04983 Dimethylsulfone2.65.6