Auxiliary Material: biological_serum_5

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
-DSS797.7797.7
HMDB00001 1-Methylhistidine73.921.8
HMDB00008 2-Hydroxybutyrate10.411.9
HMDB00042 Acetic acid42.644.5
HMDB00043 Betaine13.017.8
HMDB00060 Acetoacetate3.93.4
HMDB00062 L-Carnitine20.913.4
HMDB00064 Creatine17.624.9
HMDB00094 Citric acid65.358.9
HMDB00097 Choline7.16.3
HMDB00108 Ethanol18.07.2
HMDB00122 D-Glucose3475.73444.3
HMDB00123 Glycine165.3192.3
HMDB00131 Glycerol98.464.1
HMDB00142 Formic acid9.70.0
HMDB00148 L-Glutamic acid72.382.0
HMDB00157 Hypoxanthine11.70.0
HMDB00158 L-Tyrosine29.829.0
HMDB00159 L-Phenylalanine37.132.1
HMDB00161 L-Alanine198.0200.4
HMDB00162 L-Proline114.9100.4
HMDB00167 L-Threonine113.471.6
HMDB00168 L-Asparagine0.00.0
HMDB00172 L-Isoleucine24.933.6
HMDB00177 L-Histidine17.536.1
HMDB00182 Lysine70.665.6
HMDB00187 L-Serine125.997.3
HMDB00190 L-Lactic acid507.9565.9
HMDB00191 L-Aspartic acid35.00.0
HMDB00214 Ornithine1.724.4
HMDB00243 Pyruvic acid33.434.9
HMDB00254 Succinic acid3.12.6
HMDB00357 3-Hydroxybutyric acid21.821.4
HMDB00517 L-Arginine53.556.3
HMDB00562 Creatinine36.733.9
HMDB00641 L-Glutamine258.3271.2
HMDB00687 L-Leucine45.052.1
HMDB00691 Malonic acid8.212.5
HMDB00696 L-Methionine9.512.0
HMDB00863 Isopropanol9.06.0
HMDB00883 L-Valine91.0100.3
HMDB00929 L-Tryptophan17.40.0
HMDB01659 Acetone22.822.5
HMDB01873 Isobutyric acid4.04.0
HMDB01875 Methanol46.641.1
HMDB01881 Propylene glycol7.85.1
HMDB04983 Dimethylsulfone3.56.4