|
|
|
m/z
|
|
Tienilic acid |
| Parent | 331 | 285, 247, 201, 189, 111 |
|
TA-M1 | TA + GSH | 636 | 561, 507, 490, 361, 247, 189 | GSH conjugation pathway A |
TA-M2 | TA + O | 347 | 301, 273, 247, 201, 189, 127 | Hydroxylation |
TA ethyl ester |
| TA-EE | 359 | 330, 285, 247, 201, 111 |
|
TA-EE M1 | TA | 330 | 285, 247, 201, 189, 111 |
N-dealkylation |
TA-EE M2 | TA-EE + GSH + 2H | 666 | 648, 537, 519, 247, 189 | GSH conjugation pathway B |
Methoxyl analog of TA |
| Parent | 287 | 203, 111 |
|
TA-OMe M1 | TA-OMe + GSH | 592 | 517, 463, 446, 360, 317, 203 | GSH conjugation pathway A |
TA-OMe M2 | TA-OMe + GSH + 2H | 594 | 501, 447, 429, 401, 308, 203, 189 | GSH conjugation pathway B |
TA-OMe M3 | TA-OMe + O | 303 | 203, 127 | Hydroxylation |
TA n-propyl alcohol |
| Parent | 331 | 313, 285, 273, 247, 229, 189, 111 |
|
TA-OnPA M1 | TA-OnPA + GSH + 2H | 638 | 620, 545, 491, 473, 416, 388, 247, 189 | GSH conjugation pathway B |
TA-OnPA M2 | TA-OnPA − (C3H7) | 289 | 189, 161, 127 | Dealkylation and thiophene oxidation |
TA-OnPA M3 | TA-OnPA − (C2H7O) | 273 | 189, 127 | Dealkylation |
TA ethyl amide |
| Parent | 358 | 331, 313, 285, 273, 189, 111 |
|
TA-EA M1 | (TA-EA) + GSH | 663 | 588, 534, 517, 431, 388 | GSH conjugation pathway A |
TA-EA M2 | (TA-EA) − C2H5
| 330 | 313, 285, 273, 189, 111 |
N-dealkylation |
TA diethylamide |
| Parent | 386 | 350, 313, 285, 229, 201, 111 |
|
TA-DiEA M1 | (TA-EA) + GSH | 691 | 673, 616, 562, 545, 459, 416, 381, 302 | GSH conjugation pathway A |
TA-DiEA M2 | (TA-EA) − C2H3
| 358 | 313, 285, 273, 229, 189, 111 |
N-dealkylation |
3-Thenoyl regioisomer of TA |
| Parent | 331 | 287, 247, 189, 111 |
|
TAI M1 | TAI + GSH + H | 638 | 563, 509, 308,179 | GSH conjugation + addition of 2H |
TAI M2 | TAI + O + GSH | 652 | 523, 505, 469, 377, 247 | GSH conjugation + oxygen addition |
TAI M3 | TAI + GSH | 636 | 561, 507, 490, 404, 361, 247 | GSH conjugation |
TAI M4 | TAI+O | 347 | 301, 273, 247, 201, 189, 127 | hydroxylation |
5-Methyl TA |
| Parent | 345 | 299, 247, 201, 189, 125 |
|
5-MeTA M1 | 5-MeTA + O | 361 | 343, 315, 247, 189 | Hydroxylation |
Phenyl isomer of TA |
| Parent | 325 | 279, 247, 189, 105 |
|
PA M1 | PA + GSH + H2O | 648 | 630, 555, 501, 483, 355, 306, 177 | GSH conjugation via epoxidation |
PA M2 | PA + GSH + H2O | 648 | 630, 555, 501, 483, 355, 306, 177 | GSH conjugation via epoxidation |
PA M3 | PA+O | 341 | 295, 247, 201, 189, 121 | Hydroxylation |
PA M4 | PA+O | 341 | 295, 247, 201,189, 121 | Hydroxylation |
5-Chloro TA |
| Parent | 365 | 319, 245, 201, 189, 145 |
|
5-ClTA M1 | 5-ClTA–Cl + GSH | 636 | 561, 507, 490, 404, 361, 315, 247 | GSH conjugation via S-oxide |