Auxiliary Material: biological_serum_30

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-Methylhistidine26.616.2
HMDB00008 2-Hydroxybutyrate19.322.6
HMDB00042 Acetic acid27.333.9
HMDB00043 Betaine15.316.6
HMDB00060 Acetoacetate2.43.6
HMDB00062 L-Carnitine24.821.4
HMDB00064 Creatine24.835.7
HMDB00094 Citric acid69.160.6
HMDB00097 Choline5.05.5
HMDB00108 Ethanol11.514.4
HMDB00122 D-Glucose3377.83592.3
HMDB00123 Glycine104.5121.4
HMDB00131 Glycerol18.442.3
HMDB00142 Formic acid11.28.3
HMDB00148 L-Glutamic acid42.752.5
HMDB00157 Hypoxanthine8.20.0
HMDB00158 L-Tyrosine28.429.9
HMDB00159 L-Phenylalanine33.734.4
HMDB00161 L-Alanine276.6271.5
HMDB00162 L-Proline74.978.5
HMDB00167 L-Threonine123.896.7
HMDB00168 L-Asparagine22.50.0
HMDB00172 L-Isoleucine21.532.4
HMDB00177 L-Histidine42.744.1
HMDB00182 Lysine87.359.2
HMDB00187 L-Serine159.298.9
HMDB00190 L-Lactic acid1398.31525.2
HMDB00191 L-Aspartic acid22.00.0
HMDB00214 Ornithine0.018.5
HMDB00243 Pyruvic acid48.948.0
HMDB00254 Succinic acid1.22.9
HMDB00357 3-Hydroxybutyric acid20.620.5
HMDB00517 L-Arginine49.085.9
HMDB00562 Creatinine34.335.3
HMDB00641 L-Glutamine297.2319.1
HMDB00687 L-Leucine54.263.8
HMDB00691 Malonic acid3.08.7
HMDB00696 L-Methionine18.316.5
HMDB00863 Isopropanol8.27.6
HMDB00883 L-Valine110.3124.3
HMDB00929 L-Tryptophan9.90.0
HMDB01659 Acetone10.010.1
HMDB01873 Isobutyric acid4.26.2
HMDB01875 Methanol94.490.5
HMDB01881 Propylene glycol6.36.8
HMDB04983 Dimethylsulfone1.82.9