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. 2022 Jul 20;12(7):666. doi: 10.3390/metabo12070666

Table 1.

List of discovered metabolites of RAD140 in human urine by means of LC-HRMS/MS.

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.