Table 2.
Compound | Peak number |
t R (min) | Time-of-flight | Ion trap | ||||
---|---|---|---|---|---|---|---|---|
Error (ppm) | mSigma | Molecular formula | MW. calc. | MW. meas. | Product ions (m/z) | |||
Cl-NCC1 | 1 | 31.6 | 3.4 | 18.3 | C41H52N4O15 | 841.3502 | 841.3473 | 809 [M-CH3OH+H]+
684 [M-ring A+H]+ 679 [M-glucopyranosil+H]+ |
| ||||||||
Cl-NCC2 | 2 | 39.5 | 3.1 | 8.3 | C35H42N4O10 | 679.2974 | 679.2953 | 647 [M-CH3OH+H]+
591 522 [M-ring A+H]+ |
| ||||||||
Cl-NCC3 | 3 | 51.6 | 2.5 | 45.1 | C34H40N4O9 | 649.2868 | 649.2852 | 631 [M-H2O+H]+
492 [M-ring A+H]+ |
| ||||||||
Cl-NCC4 | 4 | 57.8 | 4.0 | 16.7 | C41H50N4O13 | 807.3447 | 807.3415 | 684 [M-ring A+H]+
645 [M-C6H10O5+H]+ 613 [M-C7H14O6+H]+ 490 [M-ring A-C7H14O6+H]+ |
See Scheme 2.