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. 2015 Mar 6;7(3):1672–1687. doi: 10.3390/nu7031672

Table 2.

Mass spectral data of the identified black rice bran sterols and triterpenoids

Compound Molecular Formula Molecular Weight Major Fragment Ion (m/z)
LC-APCI-MS GC-MS
Sterols
24-Methylene-ergosta-5-en-3β-ol C28H46O 398 381 [M-H2O+H]+ 398 [M]+, 383 [M-CH3]+
365 [M-CH3-H2O]+
314 [M-C5H9-CH3]+
299 [M-C7H13-2H]+
281 [M-C7H13-H2O-2H]+
271 [M-side chain-2H] +
24-Methylene-ergosta-7-en-3β-ol C28H46O 398 381 [M-H2O+H]+,399 [M+H]+ 398 [M]+, 383 [M-CH3]+
365 [M-CH3-H2O]+
314 [M-C5H9-CH3]+
299 [M-C7H13-2H]+
271 [M-side chain-2H]+
Fucosterol C29H48O 412 395 [M-H2O+H]+ 412 [M]+, 397 [M-CH3]+
379 [M-CH3-H2O]+
314 [M-C6H11-CH3]+
299 [M-C6H11-2CH3]+
281 [M-C6H11-2CH3-H2O]+
229 [M-side chain-ring D cleavage-CH3-2H]+
213 [M-side chain-ring D cleavage-CH3-H2O]+
Gramisterol C29H48O 412 395 [M-H2O+H]+ 412 [M] +, 397 [M-CH3]+
379 [M-CH3-H2O]+
328 [M-C5H9-CH3]+
285 [M-side chain-2H] +
269 [M- side chain -CH3-2H] +
Campesterol C28H48O 400 383 [M-H2O+H]+ 400 [M]+, 385 [M-CH3]+
382 [M-H2O]+
367 [M-CH3-H2O]+
Stigmasterol C29H48O 412 395 [M-H2O+H]+ 412 [M]+, 397 [M-CH3]+
394 [M-H2O]+
369 [M-C3H5]+
351 [M-C3H5-H2O]+
314 [M-C7H14]+
271 [M-side chain -2H]+
255 [M-side chain-H2O]+
213 [M-side chain-ring D cleavage-H2O]+
β-Sitosterol C29H50O 414 397 [M-H2O+H]+ 414 [M]+, 399 [M-CH3]+
396 [M-H2O]+
381 [M-CH3-H2O]+
329 [M-C6H13]+
303 [M-C7H11O]+
273 [M-side chain]+
255 [M-side chain -H2O]+
231 [M-side chain-ring D cleavage-CH3]+
213 [M-side chain-ring D cleavage-CH3-H2O]+
Triterpenoids
Cycloeucalenol C30H50O 426 409 [M-H2O+H]+, 427 [M+H]+ 426 [M]+, 411 [M-CH3]+
408 [M-H2O]+
393 [M-CH3-H2O]+
353 [M-C3H7-2CH3-H2O]+
300 [M-C7H13-CH2-CH3]+
Lupenone C30H48O 424 ND (minor compound) 424 [M]+, 409 [M-CH3]+
381 [M-side chain -2H]+
368 [M-side chain-CH3]+
342 [M-side chain-ring E cleavage]+
313 [M-C7H11O]+
Lupeol C30H50O 426 ND (minor compound) 426 [M]+, 411 [M-CH3]+
393 [M-CH3-H2O]+
383 [M-side chain-2H]+
370 [M-side chain -CH3]+
329 [M-side chain-ring E clevage-CH3]+
24-Methylenecycloartanol C31H52O 440 423 [M-H2O+H]+,441 [M+H]+ 440 [M]+, 425 [M-CH3]+
422 [M-H2O]+
407 [M-CH3-H2O]+
397 [M-C3H7]+
379 [M-C3H7-H2O]+
315 [M-C9H17]+
300 [M-C9H17-CH3]+
285 [M-C9H17-2CH3]+
203 [M-C9H17-5CH3]+