Molecular formula, compound exact mass, HRESI [M + H]+ and acylium ions (RCO+) observed in MS/MS spectra of amidesa.
| Amides | Molecular formula | [M + H]+ calculated | [M + H]+ observed | Error ppm | RCO+ | Molecular formula |
|---|---|---|---|---|---|---|
| 1a | C17H19NO5 | 318.1336 | 318.1337 | 0.31 | 221.0803 | C12H13O4+ |
| 1b | C16H19NO5 | 306.1336 | 306.1345 | 2.94 | 221.0859 | C12H13O4+ |
| 1c | C20H31NO4 | 350.2326 | 350.2334 | 2.28 | 221.0817 | C12H13O4+ |
| 1d | C17H25NO4 | 308.1856 | 308.1859 | 0.97 | 221.0830 | C12H13O4+ |
| 1e | C16H21NO5 | 308.1492 | 308.1496 | 1.30 | 221.0822 | C12H13O4+ |
| 1f | C17H23NO4 | 306.1700 | 306.1704 | 1.31 | 221.0815 | C12H13O4+ |
| 2a | C19H29NO3 | 320.2220 | 320.2226 | 1.87 | 191.0703 | C11H11O3+ |
| 2b | C16H23NO3 | 278.1751 | 278.1758 | 2.52 | 191.0702 | C11H11O3+ |
| 2c | C15H19NO4 | 278.1387 | 278.1389 | 0.72 | 191.0706 | C11H11O3+ |
| 2d | C16H21NO3 | 276.1594 | 276.1602 | 2.90 | 191.0700 | C11H11O3+ |
| 2e | C15H17NO4 | 276.1230 | 276.1235 | 1.81 | 191.0702 | C11H11O3+ |
| 3a | C13H14BrNO2 | 296.0281 | 296.0282 | 0.34 | 208.9588 | C9H6BrO+ |
| 3b | C14H18BrNO | 296.0645 | 296.0647 | 0.68 | 208.9585 | C9H6BrO+ |
| 3c | C17H24BrNO | 338.1114 | 338.1116 | 0.59 | 208.9533 | C9H6BrO+ |
| 4a | C14H15NO4 | 262.1074 | 262.1072 | −0.76 | 175.0384 | C10H7O3+ |
| 4b | C18H25NO3 | 304.1907 | 304.1902 | −1.64 | 175.0380 | C10H7O3+ |
| 5a | C17H25NO | 260.2008 | 260.2010 | 0.77 | 131.0430 | C9H7O+ |
| 5b | C14H19NO | 218.1539 | 218.1538 | −0.46 | 131.0487 | C9H7O+ |
| 5c | C13H15NO2 | 218.1175 | 218.1180 | 2.29 | 131.0482 | C9H7O+ |
| 5d | C13H13NO2 | 216.1019 | 216.1015 | −1.85 | 131.0480 | C9H7O+ |
| 6a | C17H19NO3 | 286.1438 | 286.1441 | 1.05 | 201.0556 | C12H10O3+ |
| 6b | C17H21NO3 | 288.1594 | 288.1596 | 0.69 | 201.0535 | C12H10O3+ |
| 7a | C17H23NO3 | 274.1802 | 274.1800 | −0.73 | 187.0744 | C12H12O2+ |
| 7b | C20H29NO2 | 316.2260 | 316.2258 | −0.63 | 187.0743 | C12H12O2+ |
| 7c | C17H21NO2 | 272.1645 | 272.1646 | 0.37 | 187.0744 | C12H12O2+ |
| 8a | C16H20BrNO | 322.0801 | 322.0801 | 0.00 | 234.9745 | C11H9BrO+ |
| 8b | C16H18BrNO | 320.0645 | 320.0649 | 1.25 | 234.9749 | C11H9BrO+ |
| 9 | C17H23NO5 | 322.1649 | 322.1649 | 0.00 | 223.0969 | C12H15O4+ |
| 10 | C17H23NO3 | 290.1751 | 290.1752 | 0.34 | 205.0845 | C12H14O3+ |
RCO+ = [[M + H] − NRdRe].