Auxiliary Material: biological_serum_27

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00001 1-Methylhistidine37.024.7
HMDB00008 2-Hydroxybutyrate18.120.0
HMDB00042 Acetic acid60.769.0
HMDB00043 Betaine13.613.6
HMDB00060 Acetoacetate1.32.4
HMDB00062 L-Carnitine22.616.1
HMDB00064 Creatine30.238.7
HMDB00094 Citric acid73.966.4
HMDB00097 Choline5.26.3
HMDB00108 Ethanol12.62.8
HMDB00122 D-Glucose3880.53963.8
HMDB00123 Glycine110.4122.9
HMDB00131 Glycerol54.477.9
HMDB00142 Formic acid8.90.0
HMDB00148 L-Glutamic acid63.475.6
HMDB00157 Hypoxanthine8.20.0
HMDB00158 L-Tyrosine33.734.9
HMDB00159 L-Phenylalanine36.538.0
HMDB00161 L-Alanine231.7246.7
HMDB00162 L-Proline66.770.1
HMDB00167 L-Threonine151.088.5
HMDB00168 L-Asparagine25.20.0
HMDB00172 L-Isoleucine25.734.5
HMDB00177 L-Histidine12.431.6
HMDB00182 Lysine94.163.7
HMDB00187 L-Serine140.687.5
HMDB00190 L-Lactic acid2492.42855.9
HMDB00191 L-Aspartic acid29.00.0
HMDB00214 Ornithine0.021.3
HMDB00243 Pyruvic acid37.737.8
HMDB00254 Succinic acid3.94.5
HMDB00357 3-Hydroxybutyric acid24.924.2
HMDB00517 L-Arginine68.393.6
HMDB00562 Creatinine45.744.8
HMDB00641 L-Glutamine237.4238.2
HMDB00687 L-Leucine59.365.2
HMDB00691 Malonic acid7.510.6
HMDB00696 L-Methionine19.79.4
HMDB00863 Isopropanol3.11.0
HMDB00883 L-Valine119.4130.0
HMDB00929 L-Tryptophan7.10.0
HMDB01659 Acetone13.914.3
HMDB01873 Isobutyric acid3.75.1
HMDB01875 Methanol27.232.0
HMDB01881 Propylene glycol6.84.4
HMDB04983 Dimethylsulfone2.42.6