Table 3.
Identification of 9 novel metabolites in beagle dog urine, feces, and plasma.
| No. | Rt (min) |
Formula | [M + H]+ (m/z) | Error (ppm) |
Fragment Ions (m/z) |
Source | Identification | Metabolic Pathway |
|---|---|---|---|---|---|---|---|---|
| M1 | 3.23 | C26H26O17 | 611.1613 | 0.6832 | 479, 303, 285, 239, 221 | U. | Quercetin xyloside glucuronide | Glucuronidation |
| M2 | 8.70 | C26H28O19S | 677.3398 | −2.9961 | 465, 369, 339, 321, 302, 257, 243, 229, 213, 201,139 | P. | Quercetin xyloside glucoside sulfate | Sulfation |
| M3 | 8.72 | C23H24O12 | 493.1615 | −0.5376 | 465, 303, 285, 257, 229, 219, 165 | F. | Dimethyl quercetin glucoside | Dimethylation |
| M4 | 10.06 | C29H34O19S | 719.3624 | −4.4449 | 611, 465, 339, 257, 243, 229, 213, 201, 135, 126, 109 | P. | Dimethyl quercetin rhamnoside glucoside sulfate | Dimethylation, Sulfation |
| M5 | 11.25 | C23H24O14S | 557.4034 | −0.1276 | 539, 521, 503, 383, 331, 303, 285, 275, 257, 229, 219, 193, 177, 165, 153 | F. | Dimethyl quercetin rhamnoside sulfate | Dimethylation, Sulfation |
| M6 | 12.10 | C26H28O19S | 677.3398 | −2.9060 | 465, 369, 339, 321, 302, 257, 243, 229, 213, 201, 139 | P. | Quercetin xyloside glucoside sulfate | Sulfation |
| M7 | 12.83 | C34H38O24 | 831.5027 | −0.3240 | 137, 209, 227, 243, 271, 285, 303, 317, 335, 353, 371, 389, 461, 637 | U. | Methyl quercetin glucoside diglucuronide | Methylation, Diglucuronidation |
| M8 | 13.76 | C17H14O7 | 331.2061 | −0.1946 | 317, 313, 303, 289, 275, 229, 181, 135, 125 | U. | Dimethyl quercetin | Dimethylation |
| M9 | 15.56 | C28H32O15 | 609.3254 | −0.2484 | 591, 577, 549, 485, 467, 449, 359, 345, 331, 317, 303, 531, 285, 275, 257, 229, 165 | F. | Trimethyl quercetin di-C-xyloside | Trimethylation |