TABLE 10

Selected mass spectra data for GSK977779 and its metabolites

Metabolitem/z
[M + H]+Significant MS2 and MS3 Product Ionsa
GSK977779444MS2: 365, 322, 297, 255, 243, 202, 187, 170, 106
M1357MS2: 322, 280, 268, 198, 187, 156, 144
M2357MS2: 322, 280, 268, 198, 187, 156, 144
M4341MS2: 324, 268, 243, 200, 187, 170, 144, 99
M5620MS2: 603, 444, 427
M9388MS2: 266, 202, 199, 187, 170
M10636MS2: 460, 444; MS3 on 460: 443, 313b
M11460MS2: 442, 400, 388, 295, 253, 245, 241, 202, 199, 187
M12460MS2: 442, 400, 388, 295, 253, 245, 241, 202, 199, 187
M14343MS2: 297, 255, 243, 199, 187, 170
M17476MS2: 458; MS3 on 458: 440, 386, 311, 241, 200, 187b
M19474MS2: 456, 428, 309, 245, 212, 202
M21460MS2: 442, 313, 295, 255, 243, 200, 187
M22460MS2: 443, 313, 271, 259, 203, 202, 188, 106
M23470MS2: 425, 324, 130
M24460MS2: 442, 388, 295, 241, 202, 187
M25355MS2: 337; MS3 on 337: 320, 243, 187, 169, 95c
M26355MS2: 337; MS3 on 337: 320, 243, 187, 169, 95c
M27636MS2: 460, 442, 202
M28476No MSn data
M29731MS2: 713, 585, 458, 274, 199, 145
M30731MS2: 713, 585, 458, 274, 199, 145
M31315MS2: 297; MS3 on 297: 255, 243, 24b
M32329MS2: 311; MS3 on 311: 283, 255, 243, 227, 199, 187, 169c
M33426MS2: 304, 279, 248, 237, 225, 202, 169, 123, 106
M34341MS2: 323, 295, 281, 243, 239, 225, 187
M35442MS2: 414, 320, 295, 239, 200, 106
  • a Major or significant positive product ions. Unless otherwise noted, reported MS fragments were acquired on a Waters QToF II.

  • b MSn data from Thermo Fisher LTQ.

  • c Species exhibited significant in-source fragmentation. The dominant in-source fragment ion (−H2O) is labeled MS2 and was used to generate additional fragments (MS3).