Auxiliary Material: biological_serum_46

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)
-DSS795.6795.6
HMDB00001 1-Methylhistidine116.552.3
HMDB00008 2-Hydroxybutyrate23.125.1
HMDB00042 Acetic acid108.9117.1
HMDB00043 Betaine32.931.0
HMDB00060 Acetoacetate0.01.3
HMDB00062 L-Carnitine46.430.8
HMDB00064 Creatine23.126.0
HMDB00094 Citric acid82.051.4
HMDB00097 Choline12.314.9
HMDB00108 Ethanol44.251.9
HMDB00122 D-Glucose5734.55472.3
HMDB00123 Glycine133.2214.7
HMDB00131 Glycerol213.5186.8
HMDB00142 Formic acid12.411.0
HMDB00148 L-Glutamic acid99.8110.6
HMDB00157 Hypoxanthine12.10.0
HMDB00158 L-Tyrosine44.244.3
HMDB00159 L-Phenylalanine56.866.5
HMDB00161 L-Alanine330.7328.9
HMDB00162 L-Proline81.0118.5
HMDB00167 L-Threonine72.6100.2
HMDB00168 L-Asparagine55.10.0
HMDB00172 L-Isoleucine33.847.3
HMDB00177 L-Histidine10.026.1
HMDB00182 Lysine121.3115.3
HMDB00187 L-Serine348.5109.3
HMDB00190 L-Lactic acid1638.11770.1
HMDB00191 L-Aspartic acid57.438.9
HMDB00214 Ornithine0.030.7
HMDB00243 Pyruvic acid20.720.9
HMDB00254 Succinic acid5.56.2
HMDB00357 3-Hydroxybutyric acid18.921.2
HMDB00517 L-Arginine100.7162.2
HMDB00562 Creatinine39.140.0
HMDB00641 L-Glutamine263.2273.9
HMDB00687 L-Leucine83.6100.0
HMDB00691 Malonic acid6.48.2
HMDB00696 L-Methionine4.215.4
HMDB00863 Isopropanol37.830.7
HMDB00883 L-Valine145.5142.7
HMDB00929 L-Tryptophan18.90.0
HMDB01659 Acetone10.310.2
HMDB01873 Isobutyric acid6.87.1
HMDB01875 Methanol83.695.9
HMDB01881 Propylene glycol0.07.7
HMDB04983 Dimethylsulfone2.66.1