Auxiliary Material: biological_serum_5

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-Methylhistidine73.921.8
HMDB00008 2-Hydroxybutyrate10.411.9
HMDB00042 Acetic acid42.644.5
HMDB00043 Betaine13.017.8
HMDB00060 Acetoacetate3.93.4
HMDB00062 L-Carnitine20.913.4
HMDB00064 Creatine17.624.9
HMDB00094 Citric acid65.358.9
HMDB00097 Choline7.16.3
HMDB00108 Ethanol18.07.2
HMDB00122 D-Glucose3475.73444.3
HMDB00123 Glycine165.3192.3
HMDB00131 Glycerol98.464.1
HMDB00142 Formic acid9.70.0
HMDB00148 L-Glutamic acid72.382.0
HMDB00157 Hypoxanthine11.70.0
HMDB00158 L-Tyrosine29.829.0
HMDB00159 L-Phenylalanine37.132.1
HMDB00161 L-Alanine198.0200.4
HMDB00162 L-Proline114.9100.4
HMDB00167 L-Threonine113.471.6
HMDB00168 L-Asparagine0.00.0
HMDB00172 L-Isoleucine24.933.6
HMDB00177 L-Histidine17.536.1
HMDB00182 Lysine70.665.6
HMDB00187 L-Serine125.997.3
HMDB00190 L-Lactic acid507.9565.9
HMDB00191 L-Aspartic acid35.00.0
HMDB00214 Ornithine1.724.4
HMDB00243 Pyruvic acid33.434.9
HMDB00254 Succinic acid3.12.6
HMDB00357 3-Hydroxybutyric acid21.821.4
HMDB00517 L-Arginine53.556.3
HMDB00562 Creatinine36.733.9
HMDB00641 L-Glutamine258.3271.2
HMDB00687 L-Leucine45.052.1
HMDB00691 Malonic acid8.212.5
HMDB00696 L-Methionine9.512.0
HMDB00863 Isopropanol9.06.0
HMDB00883 L-Valine91.0100.3
HMDB00929 L-Tryptophan17.40.0
HMDB01659 Acetone22.822.5
HMDB01873 Isobutyric acid4.04.0
HMDB01875 Methanol46.641.1
HMDB01881 Propylene glycol7.85.1
HMDB04983 Dimethylsulfone3.56.4