Auxiliary Material: biological_serum_2

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-Methylhistidine71.611.5
HMDB00008 2-Hydroxybutyrate20.227.9
HMDB00042 Acetic acid53.660.6
HMDB00043 Betaine16.716.0
HMDB00060 Acetoacetate5.26.7
HMDB00062 L-Carnitine25.517.7
HMDB00064 Creatine12.816.8
HMDB00094 Citric acid83.671.2
HMDB00097 Choline12.212.1
HMDB00108 Ethanol100.785.0
HMDB00122 D-Glucose2786.53077.8
HMDB00123 Glycine105.4134.8
HMDB00131 Glycerol81.7111.3
HMDB00142 Formic acid21.912.6
HMDB00148 L-Glutamic acid145.4101.6
HMDB00157 Hypoxanthine15.50.0
HMDB00158 L-Tyrosine35.332.6
HMDB00159 L-Phenylalanine39.541.1
HMDB00161 L-Alanine218.1218.0
HMDB00162 L-Proline79.276.8
HMDB00167 L-Threonine84.171.8
HMDB00168 L-Asparagine0.00.0
HMDB00172 L-Isoleucine31.343.4
HMDB00177 L-Histidine14.547.3
HMDB00182 Lysine86.789.6
HMDB00187 L-Serine164.374.3
HMDB00190 L-Lactic acid914.7951.6
HMDB00191 L-Aspartic acid52.823.1
HMDB00214 Ornithine0.025.7
HMDB00243 Pyruvic acid15.221.2
HMDB00254 Succinic acid2.32.7
HMDB00357 3-Hydroxybutyric acid0.0104.5
HMDB00517 L-Arginine66.783.7
HMDB00562 Creatinine33.740.0
HMDB00641 L-Glutamine172.5268.8
HMDB00687 L-Leucine52.961.0
HMDB00691 Malonic acid6.08.6
HMDB00696 L-Methionine9.214.7
HMDB00863 Isopropanol8879.79431.5
HMDB00883 L-Valine113.0127.4
HMDB00929 L-Tryptophan17.40.0
HMDB01659 Acetone39.441.4
HMDB01873 Isobutyric acid16.03.8
HMDB01875 Methanol151.3128.8
HMDB01881 Propylene glycol73.94.3
HMDB04983 Dimethylsulfone10.812.3