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. Author manuscript; available in PMC: 2015 Aug 1.
Published in final edited form as: J Am Soc Mass Spectrom. 2014 Apr 30;25(8):1404–1411. doi: 10.1007/s13361-014-0901-4

Table 2.

Major fragment ions from high-energy CID of [M - H]− ions of 21-sulfates.

graphic file with name nihms590903u2.jpg
Steroid sulfate 2,3A 1,3A 1,4A 5,10B 6,10B 7,10B 8,9C 8,11C 8,12C 13,14D 13,15D 17,20S 20,21S
iSS427 383 371 N/A 317 303 291 263 235 221 180 167 139 110
SS427 383 371 357 315 301 288 261 233 219 178 165 N/A 110
SS425 381 369 N/A 315 301 289 261 233 219 178 165 N/A 110
SS441 381 367 N/A 331 317 305 N/A N/A 235 N/A N/A 139 110
SS439 395 383 N/A 329 N/A 303 N/A N/A 235 N/A 181 139 110

Note:

*

All 21-sulfates produce fragment ions at m/z 80 and 97, representing SO3− and HSO4− respectively.

**

2,3A and 1,3A product ions from SS441 is combined with a consecutive lost of H2O, which is revealed in m/z.