Table 2.
Masses, retention times, and annotations of labeled-compounds.
| Study | Retention time | m/z | Adduct | Neutral mass | Identification |
|---|---|---|---|---|---|
| Broccoli Urine | 23 | 426.1023 | [M-H + FA]- | 381.105 | Predicted: Glucuronidated Compound |
| 404.0952 | [M + Na]+ | ||||
| 21.18 | 366.0817 | [M-H]- | 367.0892 | Predicted: indole-3-acetic acid-N-O-glucuronide | |
| 390.0787 | [M + Na]+ | ||||
| 20.7 | 510.1234 | [M-H]- | 511.1314 | Predicted: Glucuronidated Compound | |
| 512.1394 | [M + H]+ | ||||
| Collard Greens Urine | 20 | 225.0765 | [M-H]- | 226.0835 | Predicted: Dihydrosinapic Acid |
| 227.0907 | [M + H]+ | ||||
| 249.0727 | [M + Na]+ | ||||
| 21.17 | 304.2494 | [M +?]+ | Predicted: No MS/MS Captured | ||
| 17.79 | 250.0728 | [M +?]- | Predicted: N-Acyl-Alpha Amino Acids | ||
| 15.91 | 251.0138 | [M +?]- | Predicted: Aminopyrimidines | ||
| 18.97 | 289.0394 | [M +?]- | Predicted: Sulfuric Acid Monoesters | ||
| Collard Greens Plasma | 6.36 | 130.0867 | [M-H]+ | 131.0939 | Isoleucine |
| 132.1011 | [M + H]+ | ||||
| 24.8 | 311.2229 | [M-H]+ | 312.2291 | Predicted: Linoleic Acids and Derivatives | |
| 295.2247 | [M + H-H2O]+ | ||||
| 24.8 | 313.2372 | [M-H]+ | 314.2426 | No MS/MS Captured | |
| 297.2375 | [M + H-H2O]+ | ||||
| 24.8 | 333.2044 | [M-H]- | 334.2113 | Predicted: Alkaloids | |
| 335.2181 | [M + H]+ | ||||
| 24.8 | 335.2199 | [M-H]- | 336.2254 | No MS/MS Captured | |
| 403.2071 | [M-H + HCOONa]- | ||||
| 337.2327 | [M + H]+ |