Table 1.
Analyte | Transformation | Molecular Formular |
RT [min] | Polarity | Precursor Ions m/z | Product Ions m/z | NCE [%] | Ref. |
---|---|---|---|---|---|---|---|---|
RAD140 | - | C18H11ClN5O− | 6.84 | − | 348.0658 | 321.0549 127.0302 175.0068 |
20 | [11] |
C20H17ClN5O2+ | + | 394.1065 | 223.0633 205.0527 172.0505 |
30 | [12] | |||
M1 | hydrolysis hydroxylation sulfation |
C8H6ClN2O4S− | 3.54 | − | 260.9742 | 181.0174 260.9742 |
25 | [12] |
M2a | glucuronidation hydroxylation |
C26H23ClN5O9− | 4.59 | − | 584.1190 | 193.0354 540.0928 364.0607 |
30 | |
M2b | glucuronidation hydroxylation |
4.79 | − | 193.0354 390.0763 170.0360 |
30 | |||
M3 | hydrolysis hydroxylation |
C8H6ClN2O− | 4.98 | − | 181.0174 | 145.0407 118.0298 |
50 | [12] |
M4 | glucuronidation | C26H23ClN5O8− | 5.42 | − | 568.1241 | 193.0354 113.0244 374.0814 |
30 | [12] |
M5 | hydrolysis | C8H8ClN2+ | 5.49 | + | 167.0371 | 167.0371 131.0604 104.0495 |
50 | [12] |
M6a | hydroxylation | C18H11ClN5O2− | 5.76 | − | 364.0607 | 170.0360 193.0174 145.0407 |
30 | [11] 1 |
M6b | hydroxylation | 5.91 | − | 170.0360 193.0174 145.0407 |
30 | [11] 1 | ||
M6c | hydroxylation | 6.59 | − | 180.0096 193.0174 145.0407 |
30 | [11] 1 | ||
M7 | sulfation | C20H15ClN5O5S− | 6.25 | − | 472.0488 | 348.0658 96.9601 |
30 | |
S-24 | (ISTD 2) | C18H13O3N2F4− | 7.45 | − | 381.0868 | 241.0594 | 30 | [20] |
1 Only two hydroxy metabolites were reported by Sobolevsky et al. 2 Internal standard.