TABLE 1.
Structure | Abbreviation | LC tR | m/z (Deuterated Analog) | Measured m/z (ppm) |
---|---|---|---|---|
min | ||||
K | 3.7 | 238 (242) | 238.09923 (0.084) | |
NK | 3.5 | 224 (228) | 224.08365 (0.089) | |
DHNK | 3.0 | 222 (226) | 222.06801 (0.045) | |
HK 1 | 2.0 | 254 (258) | 254.09418 (0.275) | |
HK 2 | 2.6 | 254 (258) | 254.09418 (0.275) | |
HK 5 | 5.8 | 254 (258) | —a | |
HK 3 | 3.2 | 254 (257) | 254.09418 (0.275) | |
HK 4 | 3.4 | 254 (257) | — | |
HNK 1 | 1.7 | 240 (244) | 240.07858 (0.042) | |
HNK 2 | 2.2 | 240 (244) | 240.07857 (0.042) | |
HNK 3 | 2.4 | 240 (244) | 240.07858 (0.042) | |
HNK 7 | 5.8 | 240 (244) | 240.07858 (0.042) | |
Glucuronide conjugate | 5.3 | 416 (420) | 416.11075 (0.192) | |
HNK 4 | 2.8 | 240 (243) | 240.07863 (0.208) | |
HNK 5 | 3.1 | 240 (243) | 240.07858 (0.042) | |
HNK 6 | 3.3 | 240 (243) | 240.07870 (0.499) | |
Glucuronide conjugate | 1.2 | 416 (419) | — |
—, insufficient metabolite for accurate mass determination.