. 2015 Jul 7;5:11906. doi: 10.1038/srep11906

Table 4. Retention times and mass spectral patterns (mass-to-charge ratio, m/z) of the compound GLB and its metabolites (M1 and M2) identified by UPLC-QTOF-MS/MS method in rat plasma after oral administration (100 mg/kg).

Peak	Mass Error (ppm)	Retention Time (min)	Calculated Mass	Identification	Formula	Molecular Ion (m/z)	Fragment Ions (m/z)
GLB	1.0	3.50	496.08	Parent compound	C₂₁H₂₅N₂O₇Br	497 [M+H]+	—
					—	520 [M+Na]+	—
					C₁₈H₁₀N₂ O₆Br	—	441
M1	−0.8	2.56	528.07	Di-hydroxylation	C₂₁H₂₅N₂O₉Br	529 [M+H]+	—
					—	553 [M+Na]+	—
					C₁₈H₂₀N₂O₇Br	—	457
					C₂₁H₂₅N₂O₉	—	449
					C₁₈H₁₈N₂O₆Br	—	435
					C₁₆H₁₈N₂O₆Br	—	401
M2	−0.1	2.86	512.08	Hydroxylation	C₂₁H₂₅N₂O₈Br	513 [M+H]+	—
					—	537 [M+Na]+	—
					C₁₈H₂₀N₂O₇Br	—	457
					C₁₉H₂₀N₂O₅Br	—	437
					C₁₇H₂₀NO₆Br	—	413