Auxiliary Material: biological_serum_2

Spectrum with Fit

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Quantities

HMDB IDCompound NameBayesil (µM)Expert (µM)
-DSS796.8796.8
HMDB00001 1-Methylhistidine71.611.5
HMDB00008 2-Hydroxybutyrate20.227.9
HMDB00042 Acetic acid53.660.6
HMDB00043 Betaine16.716.0
HMDB00060 Acetoacetate5.26.7
HMDB00062 L-Carnitine25.517.7
HMDB00064 Creatine12.816.8
HMDB00094 Citric acid83.671.2
HMDB00097 Choline12.212.1
HMDB00108 Ethanol100.785.0
HMDB00122 D-Glucose2786.53077.8
HMDB00123 Glycine105.4134.8
HMDB00131 Glycerol81.7111.3
HMDB00142 Formic acid21.912.6
HMDB00148 L-Glutamic acid145.4101.6
HMDB00157 Hypoxanthine15.50.0
HMDB00158 L-Tyrosine35.332.6
HMDB00159 L-Phenylalanine39.541.1
HMDB00161 L-Alanine218.1218.0
HMDB00162 L-Proline79.276.8
HMDB00167 L-Threonine84.171.8
HMDB00168 L-Asparagine0.00.0
HMDB00172 L-Isoleucine31.343.4
HMDB00177 L-Histidine14.547.3
HMDB00182 Lysine86.789.6
HMDB00187 L-Serine164.374.3
HMDB00190 L-Lactic acid914.7951.6
HMDB00191 L-Aspartic acid52.823.1
HMDB00214 Ornithine0.025.7
HMDB00243 Pyruvic acid15.221.2
HMDB00254 Succinic acid2.32.7
HMDB00357 3-Hydroxybutyric acid0.0104.5
HMDB00517 L-Arginine66.783.7
HMDB00562 Creatinine33.740.0
HMDB00641 L-Glutamine172.5268.8
HMDB00687 L-Leucine52.961.0
HMDB00691 Malonic acid6.08.6
HMDB00696 L-Methionine9.214.7
HMDB00863 Isopropanol8879.79431.5
HMDB00883 L-Valine113.0127.4
HMDB00929 L-Tryptophan17.40.0
HMDB01659 Acetone39.441.4
HMDB01873 Isobutyric acid16.03.8
HMDB01875 Methanol151.3128.8
HMDB01881 Propylene glycol73.94.3
HMDB04983 Dimethylsulfone10.812.3