Auxiliary Material: def_mix_serum_4

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)
-DSS875.9875.9
HMDB00042 Acetic acid46.547.1
HMDB00043 Betaine21.65.4
HMDB00060 Acetoacetate17.316.5
HMDB00064 Creatine23.010.6
HMDB00094 Citric acid61.167.2
HMDB00097 Choline13.79.0
HMDB00108 Ethanol535.2529.4
HMDB00122 D-Glucose3042.43012.2
HMDB00123 Glycine89.665.3
HMDB00131 Glycerol923.5602.7
HMDB00142 Formic acid33.932.7
HMDB00148 L-Glutamic acid54.648.2
HMDB00157 Hypoxanthine7.69.7
HMDB00158 L-Tyrosine25.527.9
HMDB00159 L-Phenylalanine39.443.5
HMDB00161 L-Alanine330.2324.7
HMDB00162 L-Proline103.3122.2
HMDB00167 L-Threonine36.457.8
HMDB00172 L-Isoleucine9.711.7
HMDB00177 L-Histidine66.774.0
HMDB00182 Lysine22.756.3
HMDB00187 L-Serine352.388.5
HMDB00190 L-Lactic acid525.9534.9
HMDB00191 L-Aspartic acid110.111.9
HMDB00214 Ornithine41.015.3
HMDB00243 Pyruvic acid20.023.3
HMDB00254 Succinic acid6.12.9
HMDB00267 Pyroglutamic acid112.5164.3
HMDB00357 3-Hydroxybutyric acid44.219.4
HMDB00517 L-Arginine29.770.1
HMDB00562 Creatinine26.628.4
HMDB00641 L-Glutamine76.189.7
HMDB00687 L-Leucine46.450.8
HMDB00691 Malonic acid29.022.7
HMDB00696 L-Methionine19.820.9
HMDB00863 Isopropanol35.738.6
HMDB00883 L-Valine74.782.7
HMDB00929 L-Tryptophan11.30.0
HMDB01659 Acetone46.346.4
HMDB01873 Isobutyric acid3.31.0
HMDB01875 Methanol115.3125.7
HMDB01881 Propylene glycol0.09.8
HMDB04983 Dimethylsulfone10.73.7