Auxiliary Material: biological_serum_30

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
-DSS796.1796.1
HMDB00001 1-Methylhistidine26.616.2
HMDB00008 2-Hydroxybutyrate19.322.6
HMDB00042 Acetic acid27.333.9
HMDB00043 Betaine15.316.6
HMDB00060 Acetoacetate2.43.6
HMDB00062 L-Carnitine24.821.4
HMDB00064 Creatine24.835.7
HMDB00094 Citric acid69.160.6
HMDB00097 Choline5.05.5
HMDB00108 Ethanol11.514.4
HMDB00122 D-Glucose3377.83592.3
HMDB00123 Glycine104.5121.4
HMDB00131 Glycerol18.442.3
HMDB00142 Formic acid11.28.3
HMDB00148 L-Glutamic acid42.752.5
HMDB00157 Hypoxanthine8.20.0
HMDB00158 L-Tyrosine28.429.9
HMDB00159 L-Phenylalanine33.734.4
HMDB00161 L-Alanine276.6271.5
HMDB00162 L-Proline74.978.5
HMDB00167 L-Threonine123.896.7
HMDB00168 L-Asparagine22.50.0
HMDB00172 L-Isoleucine21.532.4
HMDB00177 L-Histidine42.744.1
HMDB00182 Lysine87.359.2
HMDB00187 L-Serine159.298.9
HMDB00190 L-Lactic acid1398.31525.2
HMDB00191 L-Aspartic acid22.00.0
HMDB00214 Ornithine0.018.5
HMDB00243 Pyruvic acid48.948.0
HMDB00254 Succinic acid1.22.9
HMDB00357 3-Hydroxybutyric acid20.620.5
HMDB00517 L-Arginine49.085.9
HMDB00562 Creatinine34.335.3
HMDB00641 L-Glutamine297.2319.1
HMDB00687 L-Leucine54.263.8
HMDB00691 Malonic acid3.08.7
HMDB00696 L-Methionine18.316.5
HMDB00863 Isopropanol8.27.6
HMDB00883 L-Valine110.3124.3
HMDB00929 L-Tryptophan9.90.0
HMDB01659 Acetone10.010.1
HMDB01873 Isobutyric acid4.26.2
HMDB01875 Methanol94.490.5
HMDB01881 Propylene glycol6.36.8
HMDB04983 Dimethylsulfone1.82.9