Table.
RT (min) | Peak identity | TMS | MOX |
---|---|---|---|
12.11 | Valeric acid (pentanoic acid) | 1 | 0 |
14.87 | Lactic acid | 2 | 0 |
15.18 | Caproic acid (hexanoic acid) | 1 | 0 |
15.35 | Glycolic acid (2-hydroxyethanoic acid) | 2 | 0 |
16.33 | Alanine | 2 | 0 |
18.12 | Benzyl alcohol | 1 | 0 |
18.33 | β-Hydroxybutyric acid (3-hydroxybutanoic acid) | 2 | 0 |
20.36 | Valine | 2 | 0 |
20.97 | Urea | 2 | 0 |
21.37 | Benzoic acid | 1 | 0 |
21.12 | Ethanolamine (2-aminoethanol) | 3 | 0 |
22.40 | Leucine | 2 | 0 |
22.43 | Inorganic phosphate | 3 | 0 |
23.06 | Isoleucine | 2 | 0 |
23.50 | Glycine | 3 | 0 |
26.27 | Threonine | 3 | 0 |
26.99 | Homocysteine | 3 | 0 |
29.12 | 4-Chlorophenylacetic acid (internal standard) | 1 | 0 |
30.69 | Malonic acid (enol) | 3 | 0 |
30.89 | Creatinine (enol) | 3 | 0 |
31.82 | Erythronic acid | 4 | 0 |
33.24 | Xylopyranose (xylose ring –opened) | 4 | 0 |
33.35 | Arabinofuranose (arabinose 5-membered ring) | 4 | 0 |
33.48 | Arabinose (ring-opened) | 4 | 0 |
34.05 | Arabinopyranose (arabinose 6-membered ring) | 4 | 0 |
34.38 | Ribose | 4 | 0 |
36.50 | Xylitol | 5 | 0 |
39.87 | 2-Deoxygalactopyranose (2-deoxygalactose) | 4 | 0 |
40.63 | Fructose | 5 | 1 |
40.99 | Mannitol | 6 | 0 |
41.37 | Glucose (ring-opened) | 5 | 1 |
41.79 | Glucose (ring-opened) | 5 | 1 |
42.29 | Gluconic acid | 6 | 0 |
43.02 | Galactonic acid | 6 | 0 |
43.15 | Glucopyranose (glucose 6-membered ring) | 5 | 0 |
43.73 | Ribitol | 5 | 0 |
44.06 | Palmitic acid (hexadecanoic acid) | 1 | 0 |
45.88 | myo-Inositol | 6 | 0 |
51.81 | 1-Myristoylglycerol | 2 | 0 |
54.89 | 2-Palmitoylglycerol | 2 | 0 |
55.54 | 1-Palmitoylglycerol | 2 | 0 |
58.77 | 2-Stearoylglycerol | 2 | 0 |
59.51 | 1-Stearoylglycerol | 2 | 0 |
62.99 | 1-Eicosanoylglycerol | 2 | 0 |
RT = retention time; TMS = number of trimethylsilyl groups; MOX = number of methoxamine groups.