| Chemical formula | MS/TOF mass data | Exact mass of most probable structure | ppm error |
---|---|---|---|---|
VEN | C45H51ClN7O7S+ | 868.3238 | 868.3254 | -1.84 |
 | C30H34N7O7S+ | 636.2268 | 636.2235 | 5.18 |
 | C33H34ClN4O2 | 553.2396 | 553.2365 | 5.60 |
 | C18H17N4O2+ | 321.1370 | 321.1346 | 7.47 |
 | C17H19N4O+ | 295.1575 | 295.1553 | 7.45 |
 | C15H14N3O+ | 252.1144 | 252.1131 | 5.15 |
 | C15H18Cl+ | 233.1111 | 233.1092 | 8.15 |
 | C12H12Cl+ | 191.0633 | 191.0622 | 5.75 |
 | C11H10Cl+ | 177.0480 | 177.0466 | 7.90 |
 | C10H8Cl+ | 163.0321 | 163.0309 | 7.36 |
 | C9H8Cl+ | 151.0321 | 151.0309 | 7.94 |
 | C6H11+ | 83.0866 | 83.0855 | 13.23 |
 | C5H9+ | 69.0707 | 69.0699 | 11.58 |
DP1 | C33H36ClN4O3+ | 571.2445 | 571.2470 | -4.37 |
 | C18H19N4O3+ | 339.1417 | 339.1452 | -10.32 |
 | C18H17N4O2+ | 321.1315 | 321.1346 | -9.65 |
 | C17H19N4O+ | 295.1533 | 295.1553 | -6.77 |
 | C15H14N3O+ | 252.1144 | 252.1131 | 5.15 |
 | C15H18Cl+ | 233.1069 | 233.1092 | -9.86 |
 | C12H12Cl+ | 191.0598 | 191.0622 | -12.56 |
 | C11H10Cl+ | 177.0444 | 177.0466 | -12.42 |
 | C10H8Cl+ | 163.0290 | 163.0309 | -11.65 |
 | C6H11+ | 83.0841 | 83.0855 | -16.85 |
 | C5H9+ | 69.0686 | 69.0699 | -18.82 |
DP2 | C45H51ClN7O8S+ | 884.3181 | 884.3203 | -2.48 |
 | C30H34N7O8S+ | 652.2156 | 652.2184 | -4.29 |
 | C18H17N4O3+ | 337.1278 | 337.1295 | -5.04 |
 | C17H19N4O2+ | 311.1487 | 311.1503 | -5.14 |
 | C15H18Cl+ | 233.1079 | 233.1092 | -5.57 |
 | C11H10Cl+ | 177.0455 | 177.0466 | -6.21 |
 | C9H8Cl+ | 151.0315 | 151.0309 | 3.97 |
 | C5H9+ | 69.0692 | 69.0699 | -10.13 |
DP3 | C32H36ClN4O+ | 527.2566 | 527.2572 | -1.13 |
 | C17H19N4O+ | 295.1536 | 295.1553 | -5.75 |
 | C15H14N3O+ | 252.1117 | 252.1131 | -5.55 |
 | C15H18Cl+ | 233.1076 | 233.1092 | -6.86 |
 | C12H12Cl+ | 191.0608 | 191.0622 | -7.32 |
 | C11H10Cl+ | 177.0455 | 177.0466 | -6.21 |
 | C10H8Cl+ | 163.0298 | 163.0309 | -6.74 |
 | C9H8Cl+ | 163.0298 | 151.0309 | -7.28 |
 | C6H11+ | 83.0847 | 83.0855 | -9.62 |
 | C5H9+ | 69.0692 | 69.0699 | -10.13 |