Auxiliary Material: biological_serum_45

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)
-DSS796.2796.2
HMDB00001 1-Methylhistidine124.246.2
HMDB00008 2-Hydroxybutyrate7.912.2
HMDB00042 Acetic acid11.716.2
HMDB00043 Betaine18.220.5
HMDB00060 Acetoacetate0.01.3
HMDB00062 L-Carnitine37.426.5
HMDB00064 Creatine50.162.6
HMDB00094 Citric acid94.571.7
HMDB00097 Choline7.311.7
HMDB00108 Ethanol12.95.9
HMDB00122 D-Glucose3933.83965.3
HMDB00123 Glycine141.7109.0
HMDB00131 Glycerol199.0152.5
HMDB00142 Formic acid19.816.9
HMDB00148 L-Glutamic acid34.561.9
HMDB00157 Hypoxanthine8.90.0
HMDB00158 L-Tyrosine54.958.7
HMDB00159 L-Phenylalanine46.947.5
HMDB00161 L-Alanine335.0346.6
HMDB00162 L-Proline105.0128.4
HMDB00167 L-Threonine84.0140.9
HMDB00168 L-Asparagine26.60.0
HMDB00172 L-Isoleucine81.698.2
HMDB00177 L-Histidine9.049.7
HMDB00182 Lysine200.4224.6
HMDB00187 L-Serine86.578.4
HMDB00190 L-Lactic acid707.2757.2
HMDB00191 L-Aspartic acid66.80.0
HMDB00214 Ornithine0.032.6
HMDB00243 Pyruvic acid33.533.7
HMDB00254 Succinic acid5.95.2
HMDB00357 3-Hydroxybutyric acid18.720.7
HMDB00517 L-Arginine15.7126.3
HMDB00562 Creatinine48.644.2
HMDB00641 L-Glutamine331.4243.9
HMDB00687 L-Leucine143.1159.2
HMDB00691 Malonic acid2.68.2
HMDB00696 L-Methionine28.036.5
HMDB00863 Isopropanol6.36.4
HMDB00883 L-Valine194.2223.2
HMDB00929 L-Tryptophan12.80.0
HMDB01659 Acetone24.824.0
HMDB01873 Isobutyric acid3.77.0
HMDB01875 Methanol63.461.2
HMDB01881 Propylene glycol5.79.9
HMDB04983 Dimethylsulfone2.24.1