Auxiliary Material: biological_serum_10

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
-DSS790.4790.4
HMDB00001 1-Methylhistidine46.020.7
HMDB00008 2-Hydroxybutyrate16.817.2
HMDB00042 Acetic acid69.879.1
HMDB00043 Betaine12.714.1
HMDB00060 Acetoacetate2.13.3
HMDB00062 L-Carnitine24.619.1
HMDB00064 Creatine25.735.1
HMDB00094 Citric acid77.878.0
HMDB00097 Choline10.411.3
HMDB00108 Ethanol24.038.8
HMDB00122 D-Glucose3469.53634.6
HMDB00123 Glycine186.4214.3
HMDB00131 Glycerol82.484.4
HMDB00142 Formic acid17.310.5
HMDB00148 L-Glutamic acid64.581.6
HMDB00157 Hypoxanthine9.50.0
HMDB00158 L-Tyrosine33.332.4
HMDB00159 L-Phenylalanine31.339.0
HMDB00161 L-Alanine292.1293.4
HMDB00162 L-Proline108.4121.1
HMDB00167 L-Threonine100.884.0
HMDB00168 L-Asparagine0.00.0
HMDB00172 L-Isoleucine30.339.3
HMDB00177 L-Histidine35.031.7
HMDB00182 Lysine105.888.5
HMDB00187 L-Serine194.3117.5
HMDB00190 L-Lactic acid813.8899.3
HMDB00191 L-Aspartic acid38.80.0
HMDB00214 Ornithine0.023.7
HMDB00243 Pyruvic acid24.227.2
HMDB00254 Succinic acid4.56.0
HMDB00357 3-Hydroxybutyric acid10.413.7
HMDB00517 L-Arginine86.7118.1
HMDB00562 Creatinine41.646.0
HMDB00641 L-Glutamine252.2261.2
HMDB00687 L-Leucine69.870.6
HMDB00691 Malonic acid9.810.6
HMDB00696 L-Methionine10.914.6
HMDB00863 Isopropanol56.459.2
HMDB00883 L-Valine123.7138.5
HMDB00929 L-Tryptophan11.40.0
HMDB01659 Acetone14.515.6
HMDB01873 Isobutyric acid3.54.8
HMDB01875 Methanol460.6464.1
HMDB01881 Propylene glycol0.06.1
HMDB04983 Dimethylsulfone5.66.2