Table 1. Metabolites detected by GCMS in lysates of HepG2 cells.
| Metabolite | Retention time (min) | Derivatives formed | HMDB number |
|---|---|---|---|
| L-Lactic acid | 13.34 | 2TMS | 00190 |
| L-Alanine | 14.76 | 2TMS | 00161 |
| Glycine | 15.33 21.85 |
2TMS 3TMS |
00123 |
| L-Valine | 18.74 | 2TMS | 00883 |
| L-Leucine | 20.68 | 2TMS | 00687 |
| Phosphate | 20.82 | 3TMS | 01429 |
| L-Isoleucine | 21.43 | 2TMS | 00172 |
| L-Proline | 21.50 | 2TMS | 00162 |
| Succinic acid | 21.99 | 2TMS | 00254 |
| Glyceric acid | 22.76 | 3TMS | 00139 |
| Fumaric acid | 23.05 | 2TMS | 00134 |
| L-Serine | 23.73 | 3TMS | 00187 |
| Pyrrole-2-carboxylic acid | 24.32 | 2TMS | 03094 |
| L-Threonine | 24.64 | 3TMS | 00167 |
| Aminomalonic acid | 27.26 | 3TMS | 01147 |
| Malic acid | 27.83 | 3TMS | 00156 |
| L-5-oxoproline | 28.75 | 2TMS | 00267 |
| Threonic acid | 29.72 | 4TMS | 00943 |
| Creatinine | 29.84 | 3TMS | 00562 |
| L-Glutamine | 31.68 | 3TMS | 00641 |
| D-Xylose | 33.73 | 4TMS; 1MOX | 00098 |
| Ribitol | 35.05 | 5TMS | 00508 |
| Glycerol 3-phosphate | 35.92 | 4TMS | 00126 |
| Citric acid | 37.37 | 4TMS | 00094 |
| Myristic acid (14:0) | 37.55 | 1TMS | 00806 |
| L-Tyrosine | 38.78 | 2TMS | 00158 |
| D-Fructose | 38.99 39.25 |
5TMS; 1MOX 5TMS; 1MOX |
00660 |
| D-Glucose | 39.42 39.66 40.11 |
5TMS 5TMS; 1MOX 5TMS; 1MOX |
00122 |
| D-Mannitol | 40.65 | 6TMS | 00765 |
| L-Arabinofuranose | 41.27 | 4TMS | 12325 |
| Palmitoleic acid ((9Z)-16:1) | 41.90 | 1TMS | 00207 |
| D-Galactose | 42.12 | 5TMS; 1MOX | 00143 |
| Palmitic acid (16:0) | 42.36 | 1TMS | 00220 |
| Scyllo-Inositol | 42.78 | 6TMS | 06088 |
| Myo-Inositol | 44.21 | 6TMS | 00211 |
| Oleic acid ((9Z)-18:1) | 46.24 | 1TMS | 03229 |
| Vaccenic acid ((11E)-18:1) | 46.38 | 1TMS | 03231 |
| Stearic acid (18:0) | 46.78 | 1TMS | 00827 |
| Mannitol 1-phosphate | 49.13 | 7TMS | 01530 |
| D-Glucose-6-phosphate | 49.35 | 6TMS | 01401 |
| (1-Myristoylglycerol) | 49.92 | 2TMS | 11561 |
| Uridine | 50.96 | 3TMS | 00296 |
| (1-Palmitoylglycerol) | 52.56 | 2TMS | 31074 |
| (2-Stearoylglycerol) | 54.33 | 2TMS | – |
| (1-Stearoylglycerol) | 54.74 | 2TMS | 31075 |
| Cholesterol | 60.71 | 1TMS | 00067 |
Notes:
TMS, trimethylsilyl group; MOX, O-methoxyimine group.
HMDB, Human Metabolome Database (http://www.hmdb.ca/).
Metabolites in (parentheses) are contributed to by leaching from certain laboratory plasticware and were not included in the multivariate data analysis.