Table 1.
Compound | RT | RRT | RI | Quantitation ion (m/z)a |
---|---|---|---|---|
Pyruvic acid-meto-TMSb | 7.593 | 0.412 | 1046 | 174 |
Lactic acid-2TMS | 7.862 | 0.427 | 1060 | 219 |
Glycolic acid-2TMS | 8.118 | 0.441 | 1073 | 205 |
Alanine-2TMS | 8.699 | 0.472 | 1103 | 190 |
Glycine-2TMS | 8.973 | 0.487 | 1118 | 204 |
Oxalic acid-2TMS | 9.401 | 0.510 | 1143 | 219 |
3HB-2TMSc | 9.711 | 0.527 | 1160 | 233 |
Valine-2TMS | 10.758 | 0.584 | 1221 | 218 |
Urea-2TMS | 10.931 | 0.593 | 1231 | 189 |
2-Aminoethanol-3TMS | 11.635 | 0.631 | 1275 | 174 |
Leucine-2TMS | 11.649 | 0.632 | 1276 | 232 |
Glycerol-3TMS | 11.626 | 0.631 | 1274 | 218 |
Phosphoric acid-3TMS | 11.679 | 0.634 | 1278 | 314 |
Isoleucine-2TMS | 12.017 | 0.652 | 1298 | 232 |
Proline-2TMS | 12.149 | 0.659 | 1307 | 216 |
Succinic acid-2TMS | 12.206 | 0.632 | 1311 | 247 |
Glycine-3TMS | 12.287 | 0.667 | 1317 | 248 |
Glyceric acid-3TMS | 12.523 | 0.680 | 1333 | 292 |
Fumaric acid-2TMS | 12.663 | 0.687 | 1342 | 245 |
Uracil-2TMS | 12.699 | 0.689 | 1344 | 255 |
Nonanoic acid-TMS | 12.910 | 0.701 | 1359 | 215 |
Serine-3TMS | 12.980 | 0.704 | 1363 | 306 |
Threonine-3TMS | 13.402 | 0.727 | 1392 | 291 |
Decanoic acid-TMS | 14.278 | 0.775 | 1456 | 229 |
Malic acid-3TMS | 14.737 | 0.800 | 1489 | 233 |
Methionine-2TMS | 15.271 | 0.829 | 1531 | 293 |
5-Oxoproline-2TMS | 15.347 | 0.833 | 1537 | 258 |
Cysteine-3TMS | 15.726 | 0.853 | 1566 | 218 |
Creatinine-3TMS | 15.875 | 0.862 | 1578 | 329 |
Threonic acid-4TMS | 15.723 | 0.853 | 1566 | 292 |
Phenylalanine-2TMS | 16.709 | 0.907 | 1646 | 218 |
Glutamine-4TMS | 17.830 | 0.968 | 1651 | 227 |
G3P-4TMSb | 18.146 | 0.985 | 1770 | 445 |
Glutamine-3TMS | 18.268 | 0.991 | 1781 | 362 |
L-2-chlorophenylalanined | 18.427 | 1.000 | 1795 | 218 |
Ornithine-4TMS | 18.852 | 1.023 | 1834 | 174 |
Citric acid-4TMS | 18.815 | 1.021 | 1831 | 363 |
Myristic acid-1TMS | 18.988 | 1.030 | 1847 | 285 |
Fructose-meto-5TMS(1) | 19.509 | 1.059 | 1895 | 307 |
Fructose-meto-5TMS(2) | 19.602 | 1.064 | 1904 | 307 |
Mannose-meto-5TMS | 19.678 | 1.068 | 1912 | 319 |
Glucose-meto-5TMS(1) | 19.830 | 1.076 | 1927 | 319 |
Lysine-4TMS | 19.930 | 1.082 | 1937 | 317 |
Glucose-meto-5TMS(2) | 20.060 | 1.089 | 1949 | 319 |
Tyrosine-3TMS | 20.137 | 1.093 | 1957 | 382 |
Mannitol-6TMS | 20.286 | 1.101 | 1972 | 319 |
Palmitoleic acid-TMS | 20.852 | 1.132 | 2029 | 311 |
Palmitic acid-TMS | 21.005 | 1.140 | 2045 | 313 |
Inositol-6TMS | 21.857 | 1.186 | 2134 | 318 |
Linoleic acid-TMS | 22.640 | 1.229 | 2219 | 337 |
Oleic acid-TMS | 22.664 | 1.230 | 2221 | 339 |
Stearic acid-TMS | 22.852 | 1.240 | 2243 | 341 |
Arachidonic acid-TMS | 24.095 | 1.308 | 2385 | 117 |
Cholesterol-TMS | 33.215 | 1.803 | 3235 | 458 |
RT retention time (min), RRT relative retention time (retention time of analyte/retention time of l-2-chlorophenylalanine), RI retention index
aMass ion used for quantification
bTMS, trimethylsilylation
c3HB, 3-hydroxybutyric acid and G3P, glycerol-3-phosphate
dInternal standard