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. 2019 Oct 23;411(28):7573–7583. doi: 10.1007/s00216-019-02171-9

Table 2.

The triterpenoids observed in the DAPPI-MS studies of B. pendula bark fractions. The detected ion, main MS2 product ions, suggested ion identity, and level of identification are presented

Detected ion DAPPI-MS2 main product ions Tentative identification Referencea Level of identificationb
442 424, 411, 427, 318, 189, 220, 203, 234 Betulin M+• 1
426 204, 411, 189, 218, 383, 408 Lupeol M+• 1
441 423, 411 Allobetulone [M + H]+ 1
443 425 Allobetulin [M + H]+ 1
424 409, 381, 189 [M-H2O]+ fragment of betulin M+• 2b
425 407, 217, 189, 191, 205, 203, 201, 177, 245 [M + H-H2O]+ fragment ion from betulin or allobetulin [M + H]+ [32–34] (for betulin) 3
454 190, 191, 439, 436, 410, 408, 248 Betulonic acid M+• 1
455 437, 409 Betulonic acid [M + H]+ [34] 1
456 438, 441, 248, 410, 234 Betulinic acid M+• 1
457 439, 411, 191 Betulinic acid [M + H]+ [32] 1

aReference not found is marked with -

bThe levels of identification as presented in ref. [36]. 1 = confirmed identification based on MS2 spectra and GC-MS measurements of the standard compounds and the samples; 2b = probable structure, identification based on MS2 spectra of the detected ions and standard compounds, ionization behavior of the compounds, and the experimental context; 3 = tentative structure, identification based on MS2 spectra of the detected ions and standard compounds, ionization behavior of the compounds, and the experimental context, but one exact structure is uncertain