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. 2019 May 8;10:464. doi: 10.3389/fphar.2019.00464

Table 2.

LC-MS/MS analysis of TPPU and synthetic putative TPPU metabolites.

Meta. ID RT (min) Molecular ion (m/z) Key fragments (m/z) Fragmentation pattern
TPPU 4.38 358 176, 85 graphic file with name fphar-10-00464-i0022.jpg
M1 4.14 374 356, 176, 85 graphic file with name fphar-10-00464-i0023.jpg
M2 3.99 374 356, 176, 85 graphic file with name fphar-10-00464-i0024.jpg
M3 3.3 302 176, 85 graphic file with name fphar-10-00464-i0025.jpg
M4 4.03 388 344, 176, 85 graphic file with name fphar-10-00464-i0026.jpg
α-Keto amide (M5) 4.4 372 176, 85 graphic file with name fphar-10-00464-i0027.jpg
Aniline (M6) 4.32 178 93 graphic file with name fphar-10-00464-i0028.jpg

Fragment ions of TPPU, M1–M4, and α-keto amide metabolite were obtained by product ion scan in negative-ion mode. Fragment ions of aniline was obtained by product ion scan in positive-ion mode.