TABLE 1.
Metabolites information of UA in RLM, HLM, and RLS9.
| Metabolites | Description | RT (min) | Formula | Calculated | Measured | Fragment ions | Source |
|---|---|---|---|---|---|---|---|
| [M-H]- | mass | mass | |||||
| UA | parent | 10.141 | C18H15O7 | 343.0812 | 343.0851 | 328.0610, 313.0366, 299.0944, 259.0635, 231.0678, 215.0358, 189.0566, 83.0137 | RLM, RLS9, HLM |
| M1-1 | hydroxylation | 5.181 | C18H15O8 | 359.0772 | 359.0714 | 231.0711, 155.0363 | RLM, HLM |
| M1-2 | hydroxylation | 5.789 | C18H15O8 | 359.0772 | 359.0789 | 344.0534, 302.0453, 258.0190 | RLM, HLM |
| M1-3 | hydroxylation | 7.276 | C18H15O8 | 359.0772 | 359.0784 | 344.0562, 341.0686, 326.0448, 311.0207, 298.0495, 283.0273, 275.0577, 257.0481, 229.0490, 83.0146 | RLM, RLS9, HLM |
| M1-4 | hydroxylation | 8.262 | C18H15O8 | 359.0772 | 359.0825 | 344.0568, 329.0334, 315.0916, 298.0522, 285.0437, 275.0589, 257.0476, 247.0627, 229.0542, 217.0537, 213.0611, 201.0577, 189.0571, 83.0157 | RLM, RLS9 |
| M1-5 | hydroxylation | 10.127 | C18H15O8 | 359.0772 | 359.0777 | 344.0504, 301.0324, 257.0518, 233.0431, 229.0509, 203.0630, 69.0318 | RLM, RLS9, HLM |
| M1-6 | 2×hydroxylation | 4.483 | C18H15O9 | 375.0721 | 375.0753 | 360.0503, 342.0504, 300.0265, 155.0727, 143.0888, 87.0077, 59.0145 | RLM, HLM |
| M1-7 | 2×hydroxylation | 4.791 | C18H15O9 | 375.0721 | 375.0714 | 360.0493, 318.0382, 259.0258, 143.0707 | RLM, RLS9 |
| M1-8 | 2×hydroxylation | 5.561 | C18H15O9 | 375.0721 | 375.0741 | 357.0603, 342.0385, 313.0380 | RLM, HLM |
| M1-9 | 2×hydroxylation | 5.841 | C18H15O9 | 375.0721 | 375.0709 | 360.0564, 333.0579, 302.0489, 191.0847 | RLM, HLM |
| M1-10 | 2×hydroxylation | 7.170 | C18H15O9 | 375.0721 | 375.0710 | 357.0656, 313.0715, 299.0150 | RLM, RLS9, HLM |
| M1-11 | 2×hydroxylation | 8.159 | C18H15O9 | 375.0721 | 375.0780 | 359.0776, 331.0914, 313.0345, 291.0529, 247.0649, 217.0594 | RLM |
| M1-12 | 2×hydroxylation | 10.050 | C18H15O9 | 375.0721 | 375.0707 | 235.0623, 233.0468, 207.0597, 141.0211 | RLM, HLM |
| M1-13 | di-reduction | 7.329 | C18H19O7 | 347.1136 | 347.1150 | 231.0616, 85.0290 | HLM |
| M1-14 | hydroxylation + oxidation | 5.409 | C18H13O9 | 373.0565 | 373.0594 | 355.0445, 340.0265, 327.1500, 271.0197, 243.0248, 185.0775, 87.0060 | HLM |
| M1-15 | glucuronidation | 5.357 | C24H23O13 | 519.1144 | 519.1149 | 343.0838, 328.0622, 259.0636 | RLM, HLM |
| M1-16 | cysteine conjugation | 5.107 | C21H20NO9S | 462.0864 | 462.0858 | 341.0663, 326.0430, 257.0468 | HLM |
| M1-17 | hydroxylation + glucuronidation | 4.663 | C24H23O14 | 535.1088 | 535.1092 | 517.1005, 499.0336, 341.0666, 326.0424, 297.0799, 257.0451, 83.0111 | HLM |
| M1-18 | hydroxylation + cysteine conjugation | 4.726 | C21H20NO10S | 478.0813 | 478.0836 | 432.2950, 341.0665, 326.0339 | HLM |