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Table 2 HRMS data of product ions of protonated VEN and its degradation products

From: LC-Q-TOF-MS driven identification of potential degradation impurities of venetoclax, mechanistic explanation on degradation pathway and establishment of a quantitative analytical assay method

 

Chemical formula

MS/TOF mass data

Exact mass of most probable structure

ppm error

VEN

C45H51ClN7O7S+

868.3238

868.3254

-1.84

 

C30H34N7O7S+

636.2268

636.2235

5.18

 

C33H34ClN4O2

553.2396

553.2365

5.60

 

C18H17N4O2+

321.1370

321.1346

7.47

 

C17H19N4O+

295.1575

295.1553

7.45

 

C15H14N3O+

252.1144

252.1131

5.15

 

C15H18Cl+

233.1111

233.1092

8.15

 

C12H12Cl+

191.0633

191.0622

5.75

 

C11H10Cl+

177.0480

177.0466

7.90

 

C10H8Cl+

163.0321

163.0309

7.36

 

C9H8Cl+

151.0321

151.0309

7.94

 

C6H11+

83.0866

83.0855

13.23

 

C5H9+

69.0707

69.0699

11.58

DP1

C33H36ClN4O3+

571.2445

571.2470

-4.37

 

C18H19N4O3+

339.1417

339.1452

-10.32

 

C18H17N4O2+

321.1315

321.1346

-9.65

 

C17H19N4O+

295.1533

295.1553

-6.77

 

C15H14N3O+

252.1144

252.1131

5.15

 

C15H18Cl+

233.1069

233.1092

-9.86

 

C12H12Cl+

191.0598

191.0622

-12.56

 

C11H10Cl+

177.0444

177.0466

-12.42

 

C10H8Cl+

163.0290

163.0309

-11.65

 

C6H11+

83.0841

83.0855

-16.85

 

C5H9+

69.0686

69.0699

-18.82

DP2

C45H51ClN7O8S+

884.3181

884.3203

-2.48

 

C30H34N7O8S+

652.2156

652.2184

-4.29

 

C18H17N4O3+

337.1278

337.1295

-5.04

 

C17H19N4O2+

311.1487

311.1503

-5.14

 

C15H18Cl+

233.1079

233.1092

-5.57

 

C11H10Cl+

177.0455

177.0466

-6.21

 

C9H8Cl+

151.0315

151.0309

3.97

 

C5H9+

69.0692

69.0699

-10.13

DP3

C32H36ClN4O+

527.2566

527.2572

-1.13

 

C17H19N4O+

295.1536

295.1553

-5.75

 

C15H14N3O+

252.1117

252.1131

-5.55

 

C15H18Cl+

233.1076

233.1092

-6.86

 

C12H12Cl+

191.0608

191.0622

-7.32

 

C11H10Cl+

177.0455

177.0466

-6.21

 

C10H8Cl+

163.0298

163.0309

-6.74

 

C9H8Cl+

163.0298

151.0309

-7.28

 

C6H11+

83.0847

83.0855

-9.62

 

C5H9+

69.0692

69.0699

-10.13