Table 1.
Mass spectrum (m/z) |
Metabolite/SN30000 peak areac |
||||||
---|---|---|---|---|---|---|---|
ID | RRTa | λmaxb | Parent | Product ions | Plasma | Liver | Tumor |
M1 | 0.23 | 252,300,400 | 347 | 100,133,228,260 | 0.18 | NDd | 0.19 |
M2 | 0.31 | 252,300,400 | 347 | 100, 228,260 | 0.03 | ND | 0.02 |
M3 | 0.51 | 245,325 | 315 | 100,210,228 | 0.07 | 0.55 | 0.12 |
M4 | 0.56 | 245,360 | 331 | 100,227,244 | 0.22 | 0.83 | 0.35 |
M5 | 0.67 | 255,345 | 313 | 100,156,226 | 0.05 | 0.64 | 0.04 |
M6 | 0.79 | 252,370 | 331 | 227,244 | 0.10 | 0.35 | 0.13 |
M7 | 0.89 | 252,300,400 | 305 | 117,198,214,244 | 0.06 | 0.17 | 0.06 |
M8 | 0.92 | 252,360 | 347 | 227,244 | 0.05 | ND | 0.04 |
M9 | 0.95 | 252,330 | 491 | 100,228,315 | 0.04 | 0.36 | 0.08 |
SN30000 | 1.00 | 252,300,400 | 331 | 100,212,244 | 1.00 | 1.00 | 1.00 |
M10 | 1.06 | 260,360 | 507 | 244,331 | 0.31 | 0.47 | 0.44 |
M11 | 1.15 | 252,320 | 273 | 212 | 0.04 | 0.34 | 0.06 |
M12 | 1.22 | 252,360 | 289 | 211,228 | 0.13 | 1.06 | 0.16 |
M13 | 1.23 | 245,325 | 289 | 100,212 | 0.08 | 1.50 | 0.11 |
M14 | 1.29 | 252,360 | 315 | 211,228 | 0.35 | 5.18 | 0.41 |
M15 | 1.38 | 252,360 | 331 | 211,228 | 0.26 | 0.21 | 0.24 |
M16 | 1.39 | 252,300,400 | 276 | 130,214,230,258 | 0.50 | 0.34 | 0.49 |
M17 | 1.67 | 245,320 | 244 | 142,168,198,226 | 0.11 | 0.12 | 0.14 |
M18 | 1.73 | 252,360 | 260 | 130,172,214,242 | 1.14 | 0.60 | 1.63 |
M19 | 1.81 | 252,360 | 329 | 112,172,200,228,311 | 0.03 | 0.27 | 0.02 |
For proposed structures, see Figure 1.
aRetention time relative to SN30000.
bAbsorbance maxima (nm), determined with an HPLC photodiode array detector.
cValues are peak area ratios for representative animals based on absorbance detection at 252 nm, 30 min after i.p. dosing with SN30000 at 186 mg/kg.
dND = Not detected by absorbance or MS.