Auxiliary Material: biological_serum_32

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
-DSS793.7793.7
HMDB00001 1-Methylhistidine89.926.7
HMDB00008 2-Hydroxybutyrate14.619.6
HMDB00042 Acetic acid24.331.0
HMDB00043 Betaine28.023.8
HMDB00060 Acetoacetate3.11.7
HMDB00062 L-Carnitine41.226.1
HMDB00064 Creatine29.045.8
HMDB00094 Citric acid99.178.7
HMDB00097 Choline8.18.7
HMDB00108 Ethanol19.72.0
HMDB00122 D-Glucose3757.23893.2
HMDB00123 Glycine109.3152.9
HMDB00131 Glycerol110.882.2
HMDB00142 Formic acid7.50.0
HMDB00148 L-Glutamic acid42.148.2
HMDB00157 Hypoxanthine7.20.0
HMDB00158 L-Tyrosine38.439.0
HMDB00159 L-Phenylalanine52.246.3
HMDB00161 L-Alanine299.1296.9
HMDB00162 L-Proline127.3110.3
HMDB00167 L-Threonine48.474.3
HMDB00168 L-Asparagine38.517.7
HMDB00172 L-Isoleucine39.853.5
HMDB00177 L-Histidine7.239.8
HMDB00182 Lysine111.3116.8
HMDB00187 L-Serine249.677.0
HMDB00190 L-Lactic acid720.5785.8
HMDB00191 L-Aspartic acid31.625.3
HMDB00214 Ornithine0.038.5
HMDB00243 Pyruvic acid44.543.6
HMDB00254 Succinic acid3.43.6
HMDB00357 3-Hydroxybutyric acid14.313.3
HMDB00517 L-Arginine28.747.5
HMDB00562 Creatinine46.445.1
HMDB00641 L-Glutamine279.2302.4
HMDB00687 L-Leucine75.879.3
HMDB00691 Malonic acid6.37.6
HMDB00696 L-Methionine12.917.7
HMDB00863 Isopropanol3.84.0
HMDB00883 L-Valine144.3158.5
HMDB00929 L-Tryptophan17.80.0
HMDB01659 Acetone20.019.9
HMDB01873 Isobutyric acid7.76.2
HMDB01875 Methanol40.436.2
HMDB01881 Propylene glycol12.77.3
HMDB04983 Dimethylsulfone3.56.0