Auxiliary Material: biological_serum_20

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...
Drag icon

Quantities

HMDB IDCompound NameBayesil (µM)Expert (µM)
-DSS793.7793.7
HMDB00001 1-Methylhistidine0.019.6
HMDB00008 2-Hydroxybutyrate15.323.3
HMDB00042 Acetic acid40.346.5
HMDB00043 Betaine30.719.1
HMDB00060 Acetoacetate0.81.0
HMDB00062 L-Carnitine17.423.1
HMDB00064 Creatine50.852.6
HMDB00094 Citric acid115.189.8
HMDB00097 Choline5.68.3
HMDB00108 Ethanol18.310.1
HMDB00122 D-Glucose3607.23629.3
HMDB00123 Glycine172.7172.0
HMDB00131 Glycerol260.8100.2
HMDB00142 Formic acid11.99.2
HMDB00148 L-Glutamic acid45.749.0
HMDB00157 Hypoxanthine8.10.0
HMDB00158 L-Tyrosine42.040.1
HMDB00159 L-Phenylalanine43.344.3
HMDB00161 L-Alanine315.6308.7
HMDB00162 L-Proline103.382.3
HMDB00167 L-Threonine69.1101.3
HMDB00168 L-Asparagine101.70.0
HMDB00172 L-Isoleucine29.143.6
HMDB00177 L-Histidine40.025.8
HMDB00182 Lysine92.3113.6
HMDB00187 L-Serine309.697.2
HMDB00190 L-Lactic acid1476.21617.8
HMDB00191 L-Aspartic acid87.30.0
HMDB00214 Ornithine23.245.3
HMDB00243 Pyruvic acid64.367.2
HMDB00254 Succinic acid2.23.2
HMDB00357 3-Hydroxybutyric acid29.520.6
HMDB00517 L-Arginine76.776.5
HMDB00562 Creatinine49.643.4
HMDB00641 L-Glutamine294.8294.1
HMDB00687 L-Leucine70.276.2
HMDB00691 Malonic acid3.96.0
HMDB00696 L-Methionine17.914.1
HMDB00863 Isopropanol4.91.4
HMDB00883 L-Valine136.1152.7
HMDB00929 L-Tryptophan12.50.0
HMDB01659 Acetone9.510.1
HMDB01873 Isobutyric acid5.97.3
HMDB01875 Methanol76.664.5
HMDB01881 Propylene glycol12.14.2
HMDB04983 Dimethylsulfone2.72.7