Table 1.
List of metabolites included in the statistical analysis.
| Metabolites | RT Library |
RT | RI | TI | QI 1 | QII 2 | CV (%) QCs |
HMDB | Group of Metabolites |
|---|---|---|---|---|---|---|---|---|---|
| Acetic acid | - | 5.8 | 596 | 75 | 117 | 45 | 25.4% | HMDB00237 | Carboxylic acids |
| Propanoic acid | - | 6.5 | 720 | 131 | 75 | 73 | 16.0% | HMDB00042 | Carboxylic acids |
| Lactic acid | 6.851 | 6.6 | 732 | 117 | 147 | 73 | 17.2% | HMDB00190 | Alpha hydroxy acids and derivatives |
| Glycolic acid | 7.049 | 6.9 | 745 | 147 | 73 | 66 | 21.2% | HMDB00115 | Alpha hydroxy acids and derivatives |
| Alanine | 7.474 | 7.3 | 774 | 116 | 73 | 147 | 27.2% | HMDB00161 | Amino acids, peptides, and analogues |
| Acetic acid | - | 7.48 | 785 | 145 | 104 | 174 | 23.9% | HMDB00532 | Amino acids, peptides, and analogues |
| Valine | 9.151 | 8.9 | 898 | 144 | 218 | 73 | 13.2% | HMDB00883 | Amino acids, peptides, and analogues |
| Glycerol-3-phophate | 9.7 | 9.5 | 930 | 299 | 73 | 314 | 12.5% | HMDB00126 | Glycerophosphates |
| Benzoic acid | 9.595 | 9.5 | 935 | 179 | 105 | 135 | 19.5% | HMDB01870 | Benzoic acids and derivatives |
| Glycerol | 9.941 | 9.8 | 950 | 205 | 147 | 73 | 29.7% | HMDB00131 | Carbohydrates and carbohydrate conjugates |
| Glycine | 10.456 | 10.1 | 985 | 174 | 248 | 147 | 24.6% | HMDB00123 | Organic acids and derivatives |
| Succinic acid | 10.509 | 10.4 | 995 | 247 | 73 | 75 | 17.9% | HMDB00254 | Dicarboxylic acids and derivatives |
| m-toluic acid | 11.006 | 10.835 | 1020 | 193 | 119 | 149 | 17.7% | HMDB62810 | Benzoic acids and derivatives |
CV, coefficient of signal variation, RT, retention time; HMDB—Human Metabolome Database; TI, target ion; QC, quality control; QI 1, first qualifier ion; QI 2, second qualifier ion; RI, retention index. All compounds reported in the table are three methyls silylated (TMS).