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. 2018 Jun 12;8(38):21407–21413. doi: 10.1039/c7ra00408g

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+
a

RCO+ = [[M + H] − NRdRe].