Auxiliary Material: biological_serum_18

Spectrum with Fit

The spectra viewer shows the processed spectrum (black) and the fit (blue). Details in the spectrum can be examined by zooming in on regions of interest (Press Option or Alt and drag around an area; or use a scroll wheel to zoom the X-axis and press Option or Alt while using a scroll wheel to zoom the Y-axis). More info...

HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00001 1-Methylhistidine39.017.3
HMDB00008 2-Hydroxybutyrate28.836.1
HMDB00042 Acetic acid41.244.1
HMDB00043 Betaine10.313.6
HMDB00060 Acetoacetate0.08.4
HMDB00062 L-Carnitine16.014.8
HMDB00064 Creatine13.225.2
HMDB00094 Citric acid78.982.5
HMDB00097 Choline7.38.5
HMDB00108 Ethanol18.834.8
HMDB00122 D-Glucose3376.83401.9
HMDB00123 Glycine143.4165.2
HMDB00131 Glycerol179.4157.5
HMDB00142 Formic acid11.30.0
HMDB00148 L-Glutamic acid68.073.0
HMDB00157 Hypoxanthine10.60.0
HMDB00158 L-Tyrosine46.440.8
HMDB00159 L-Phenylalanine36.044.7
HMDB00161 L-Alanine246.3237.2
HMDB00162 L-Proline66.773.2
HMDB00167 L-Threonine100.096.3
HMDB00168 L-Asparagine20.90.0
HMDB00172 L-Isoleucine26.040.7
HMDB00177 L-Histidine53.437.7
HMDB00182 Lysine72.990.2
HMDB00187 L-Serine115.154.0
HMDB00190 L-Lactic acid1098.41193.3
HMDB00191 L-Aspartic acid37.00.0
HMDB00214 Ornithine0.021.7
HMDB00243 Pyruvic acid50.050.4
HMDB00254 Succinic acid2.04.5
HMDB00357 3-Hydroxybutyric acid390.0428.3
HMDB00517 L-Arginine62.089.1
HMDB00562 Creatinine49.645.0
HMDB00641 L-Glutamine240.6309.2
HMDB00687 L-Leucine60.467.2
HMDB00691 Malonic acid6.68.2
HMDB00696 L-Methionine18.416.9
HMDB00863 Isopropanol9.38.4
HMDB00883 L-Valine111.7120.0
HMDB00929 L-Tryptophan14.60.0
HMDB01659 Acetone138.7136.9
HMDB01873 Isobutyric acid6.07.1
HMDB01875 Methanol29.629.7
HMDB01881 Propylene glycol0.014.0
HMDB04983 Dimethylsulfone1.13.2