Table 3.
Settings applied in selected ion monitoring (SIM) mode for the detection of the target metabolites.
| Metabolite | Derivatization | Dwell Time (ms) | Fragment | Sum Formula | m/z |
|---|---|---|---|---|---|
| Pyruvate | 1MeOX 1TMS | 10 | M-15 | C6H12O3NSi | 174.1 |
| Lactate | 2TMS | 15 | M-15 | C8H19O3Si2 | 219.1 |
| Alanine | 2TMS | 15 | M-15 | C8H20O2NSi2 | 218.1 |
| 2-Hydroxybutyrate | 2TMS | 15 | M-15 | C9H21O3Si2 | 233.1 |
| Oxalate | 2TMS | 15 | M-15 | C7H15O4Si2 | 219.1 |
| 3-Hydroxybutyrate | 2TMS | 20 | M-15 | C9H21O3Si2 | 233.1 |
| Valine | 2TMS | 15 | M-15 | C10H24O2NSi2 | 246.1 |
| Leucine | 2TMS | 15 | M-15 | C11H26O2NSi2 | 260.2 |
| Isoleucine | 2TMS | 15 | M-15 | C11H26O2NSi2 | 260.1 |
| Glycine | 3TMS | 20 | M-15 | C10H26O2NSi3 | 276.1 |
| Succinate | 2TMS | 15 | M-15 | C9H19O4Si2 | 247.1 |
| Glycerate | 3TMS | 15 | M-30 | C10H24O4Si3 | 292.1 |
| Fumarate | 2TMS | 15 | M-15 | C9H17O4Si2 | 245.1 |
| Serine | 3TMS | 20 | M-15 | C11H28O3NSi3 | 306.1 |
| Threonine | 3TMS | 15 | M-15 | C12H30O3NSi3 | 320.2 |
| Malate | 3TMS | 15 | M-15 | C12H27O5Si3 | 335.1 |
| Erythritol | 4TMS | 20 | M-90 | C10H24O4Si4 | 320.2 |
| Aspartate | 3TMS | 15 | M-15 | C12H28O4NSi3 | 334.1 |
| Erythronate | 4TMS | 20 | M-15 | C15H37O5Si4 | 409.2 |
| α-Ketoglutarate | 1MeOX 2TMS | 10 | M-15 | C11H22O5NSi2 | 304.1 |
| Glutamate | 3TMS | 15 | M-15 | C13H30O4NSi3 | 348.1 |
| Glutamine | 3TMS | 15 | M-15 | C13H31O3N2Si3 | 347.2 |
| Citrate | 4TMS | 15 | M-15 | C17H37O7Si4 | 465.2 |
| Glucose | 1MeOX 5TMS | 15 | M-15 | C21H52O6NSi5 | 554.3 |
| Tyrosine | 3TMS | 10 | M-15 | C17H32O3NSi3 | 382.2 |