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Table 1 UV and high resolution mass spectrometry

From: Bikinin-like inhibitors targeting GSK3/Shaggy-like kinases: characterisation of novel compounds and elucidation of their catabolism in planta

Compound

UVmax[nm]

m/z; deviation to the calculated m/zin ppm; ion type

Calculated formula for [M]

10

250/292

334.9892; 1.5; [M + H]+

C10H11IN2O3

335.9921; 0.0; [13CM + H]+a

356.9708; 0.3; [M + Na]+

357.9742; 0.6; [13CM + Na]+

209.0920; 0.5; [M-I + H]+

210.0954; 0.0; [13CM-I + H]+

15

250/292

320.9735; 1.2; [M + H]+

C9H9IN2O3

321.9764; 0.0; [13CM + H]+

342.9551; 0.3; [M + Na]+

P1

251/292

320.9734; 0.9; [M + H]+

C9H9IN2O3

321.9766; 0.6; [13CM + H]+

342.9552; 0.6; [M + Na]+

P2

251/292

450.0163; 1.3; [M + H]+

C14H16IN3O6

451.0192; 0.4; [13CM + H]+

471.9978; 0.4; [M + Na]+

473.0012; 0.4; [13CM + Na]+

324.1192; 0.6; [M-I + H]+

325.1225; 0.3; [13CM-I + H]+

P3

251/292

436.9846; 1.4; [M + H]+

C13H13IN2O7

437.9876; 0.5; [13CM + H]+

458.9662; 0.4; [M + Na]+

459.9695; 0.4; [13CM + Na]+

311.0874; 0.6; [M-I + H]+

  

312.0907; 0.6; [13CM-I + H]+

 
  1. a[13CM] means that the mother molecule contains one 13C carbon.