Auxiliary Material: biological_csf_1

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
-DSS906.4906.4
HMDB00008 2-Hydroxybutyrate27.125.1
HMDB00023 3-Hydroxyisobutyrate6.67.9
HMDB00042 Acetic acid71.370.2
HMDB00060 Acetoacetate8.44.7
HMDB00064 Creatine32.925.0
HMDB00087 Dimethylamine2.41.8
HMDB00094 Citric acid152.7155.7
HMDB00097 Choline1.01.4
HMDB00122 D-Glucose1533.21604.3
HMDB00131 Glycerol133.9112.5
HMDB00142 Formic acid27.225.3
HMDB00158 L-Tyrosine6.35.0
HMDB00159 L-Phenylalanine5.34.9
HMDB00161 L-Alanine17.916.5
HMDB00167 L-Threonine17.212.5
HMDB00169 Mannose0.017.1
HMDB00172 L-Isoleucine2.02.5
HMDB00177 L-Histidine7.17.8
HMDB00182 Lysine24.311.2
HMDB00187 L-Serine29.126.9
HMDB00190 L-Lactic acid891.0978.5
HMDB00211 Myoinositol68.265.3
HMDB00243 Pyruvic acid0.50.8
HMDB00254 Succinic acid0.20.9
HMDB00267 Pyroglutamic acid45.150.2
HMDB00292 Xanthine2.31.6
HMDB00357 3-Hydroxybutyric acid17.311.8
HMDB00407 2-Hydroxyisovaleric acid6.15.3
HMDB00562 Creatinine30.835.8
HMDB00641 L-Glutamine335.7293.9
HMDB00660 Fructose100.154.2
HMDB00687 L-Leucine5.86.3
HMDB00696 L-Methionine4.14.0
HMDB00754 3-Hydroxyisovaleric acid3.11.9
HMDB00863 Isopropanol2.91.9
HMDB00883 L-Valine8.38.3
HMDB00929 L-Tryptophan2.50.0
HMDB01659 Acetone6.15.4
HMDB01875 Methanol462.4473.9
HMDB01881 Propylene glycol2.41.5
HMDB02712 1,5-Anhydrosorbitol75.955.8
HMDB04983 Dimethylsulfone7.05.7