Auxiliary Material: biological_serum_49

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
-DSS795.7795.7
HMDB00001 1-Methylhistidine35.413.4
HMDB00008 2-Hydroxybutyrate16.119.3
HMDB00042 Acetic acid41.648.7
HMDB00043 Betaine21.217.2
HMDB00060 Acetoacetate1.91.4
HMDB00062 L-Carnitine23.118.2
HMDB00064 Creatine28.036.3
HMDB00094 Citric acid98.269.9
HMDB00097 Choline7.97.5
HMDB00108 Ethanol19.814.4
HMDB00122 D-Glucose2629.52818.8
HMDB00123 Glycine100.6114.6
HMDB00131 Glycerol92.861.3
HMDB00142 Formic acid10.80.0
HMDB00148 L-Glutamic acid61.971.5
HMDB00157 Hypoxanthine8.90.0
HMDB00158 L-Tyrosine45.742.2
HMDB00159 L-Phenylalanine40.446.4
HMDB00161 L-Alanine285.3282.7
HMDB00162 L-Proline135.4112.8
HMDB00167 L-Threonine96.5109.8
HMDB00168 L-Asparagine10.80.0
HMDB00172 L-Isoleucine32.745.9
HMDB00177 L-Histidine52.446.8
HMDB00182 Lysine121.1124.0
HMDB00187 L-Serine211.583.8
HMDB00190 L-Lactic acid1860.82075.9
HMDB00191 L-Aspartic acid29.80.0
HMDB00214 Ornithine0.021.8
HMDB00243 Pyruvic acid75.474.7
HMDB00254 Succinic acid2.63.0
HMDB00357 3-Hydroxybutyric acid22.619.2
HMDB00517 L-Arginine55.988.0
HMDB00562 Creatinine51.544.7
HMDB00641 L-Glutamine239.2234.2
HMDB00687 L-Leucine68.172.2
HMDB00691 Malonic acid1.64.8
HMDB00696 L-Methionine16.314.1
HMDB00863 Isopropanol5.64.9
HMDB00883 L-Valine142.3164.0
HMDB00929 L-Tryptophan7.00.0
HMDB01659 Acetone15.415.5
HMDB01873 Isobutyric acid7.18.8
HMDB01875 Methanol101.997.9
HMDB01881 Propylene glycol7.85.0
HMDB04983 Dimethylsulfone0.22.0