Auxiliary Material: biological_serum_32

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)
HMDB00001 1-Methylhistidine89.926.7
HMDB00008 2-Hydroxybutyrate14.619.6
HMDB00042 Acetic acid24.331.0
HMDB00043 Betaine28.023.8
HMDB00060 Acetoacetate3.11.7
HMDB00062 L-Carnitine41.226.1
HMDB00064 Creatine29.045.8
HMDB00094 Citric acid99.178.7
HMDB00097 Choline8.18.7
HMDB00108 Ethanol19.72.0
HMDB00122 D-Glucose3757.23893.2
HMDB00123 Glycine109.3152.9
HMDB00131 Glycerol110.882.2
HMDB00142 Formic acid7.50.0
HMDB00148 L-Glutamic acid42.148.2
HMDB00157 Hypoxanthine7.20.0
HMDB00158 L-Tyrosine38.439.0
HMDB00159 L-Phenylalanine52.246.3
HMDB00161 L-Alanine299.1296.9
HMDB00162 L-Proline127.3110.3
HMDB00167 L-Threonine48.474.3
HMDB00168 L-Asparagine38.517.7
HMDB00172 L-Isoleucine39.853.5
HMDB00177 L-Histidine7.239.8
HMDB00182 Lysine111.3116.8
HMDB00187 L-Serine249.677.0
HMDB00190 L-Lactic acid720.5785.8
HMDB00191 L-Aspartic acid31.625.3
HMDB00214 Ornithine0.038.5
HMDB00243 Pyruvic acid44.543.6
HMDB00254 Succinic acid3.43.6
HMDB00357 3-Hydroxybutyric acid14.313.3
HMDB00517 L-Arginine28.747.5
HMDB00562 Creatinine46.445.1
HMDB00641 L-Glutamine279.2302.4
HMDB00687 L-Leucine75.879.3
HMDB00691 Malonic acid6.37.6
HMDB00696 L-Methionine12.917.7
HMDB00863 Isopropanol3.84.0
HMDB00883 L-Valine144.3158.5
HMDB00929 L-Tryptophan17.80.0
HMDB01659 Acetone20.019.9
HMDB01873 Isobutyric acid7.76.2
HMDB01875 Methanol40.436.2
HMDB01881 Propylene glycol12.77.3
HMDB04983 Dimethylsulfone3.56.0