Auxiliary Material: biological_csf_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...
Drag icon

Quantities

HMDB IDCompound NameBayesil (µM)Expert (µM)
-DSS1001.41001.4
HMDB00008 2-Hydroxybutyrate23.519.9
HMDB00023 3-Hydroxyisobutyrate5.66.6
HMDB00042 Acetic acid85.787.2
HMDB00060 Acetoacetate8.85.1
HMDB00064 Creatine25.228.8
HMDB00087 Dimethylamine1.82.1
HMDB00094 Citric acid81.879.9
HMDB00097 Choline2.21.1
HMDB00122 D-Glucose1763.71979.7
HMDB00131 Glycerol128.3115.7
HMDB00142 Formic acid23.420.9
HMDB00158 L-Tyrosine4.14.7
HMDB00159 L-Phenylalanine8.47.4
HMDB00161 L-Alanine16.617.3
HMDB00167 L-Threonine19.912.4
HMDB00169 Mannose0.014.1
HMDB00172 L-Isoleucine1.50.0
HMDB00177 L-Histidine2.30.0
HMDB00182 Lysine26.512.6
HMDB00187 L-Serine4.831.1
HMDB00190 L-Lactic acid909.0813.6
HMDB00211 Myoinositol32.969.5
HMDB00243 Pyruvic acid1.70.0
HMDB00254 Succinic acid1.44.0
HMDB00267 Pyroglutamic acid76.564.6
HMDB00292 Xanthine1.00.0
HMDB00357 3-Hydroxybutyric acid23.610.7
HMDB00407 2-Hydroxyisovaleric acid3.73.5
HMDB00562 Creatinine37.229.6
HMDB00641 L-Glutamine245.8219.7
HMDB00660 Fructose97.586.0
HMDB00687 L-Leucine5.25.6
HMDB00696 L-Methionine2.63.3
HMDB00754 3-Hydroxyisovaleric acid1.51.8
HMDB00863 Isopropanol11.410.1
HMDB00883 L-Valine6.26.8
HMDB00929 L-Tryptophan4.10.0
HMDB01659 Acetone40.139.1
HMDB01875 Methanol745.1768.4
HMDB01881 Propylene glycol3.14.6
HMDB02712 1,5-Anhydrosorbitol65.364.2
HMDB04983 Dimethylsulfone4.30.0