Table 1

Product ion mass spectral data for KE-298 and its metabolites in rats

MetabolitePeak No.1-a Precursor Ionm/zCollision Energy eVMajor Product Ion1-b m/z (relative intensity; %)
[M − H]−[M − H − CO2]−F1F2F3F4Others
Esonarimod1-c 27910237 (100.0)219 (10.4)
M-II1-c 25115203 (9.0)159 (100.0)
M-III1-d Peak 4a26715203 (7.8)159 (100.0)63 (4.1)1-g
Peak 4b26715203 (13.2)159 (100.0)63 (3.7)1-g
M-IV1-d Peak 626715219 (5.1)175 (100.0)
M-V1-d Peak 2a28315219 (4.9)175 (100.0)
Peak 2b28315219 (6.0)175 (100.0)
M-VII1-d Peak 1a29715189 (100.0)
Peak 1b29715189 (100.0)
M-IX1-d Peak 523510191 (100.0)1-h
M-X1-d Peak 320520161 (100.0)1-i 171 (2.9)1-j 127 (5.1)1-k
M-II-Gluc1-e 1-f Peak 742715203 (13.7)159 (68.4)251 (100.0)1-l 193 (82.4)1-m 175 (37.8)1-n

  • ↵1-a  See Figs. 2 and 3.

  • ↵1-b  CID fragmentation patterns: See Fig. 8.

  • ↵1-c  Authentic standard.

  • ↵1-d  Found in urine.

  • ↵1-e  Found in bile.

  • ↵1-f  Authentic standard is not available.

  • ↵1-g  [−SO-CH3]−

  • ↵1-h  [M − H − CO2]−

  • ↵1-i  [M − H − 2CO2]−

  • ↵1-j  [M − H − CO2− SH2]−

  • ↵1-k  [M − H − 2CO2− SH2]−

  • ↵1-l  [aglycon − H]−

  • ↵1-m  [glucuronic acid − H]−

  • ↵1-n  [glucuronic acid − H − H2O]−