Compound | m/z | MS2 | HRMS (Measured) | HRMS (Calculated) | Chemical Formula | Error |
---|---|---|---|---|---|---|
ppm | ||||||
Diosbulbin B | 362.2 (M+NH4+) | 317.2, 299.3, 271.4, 253.3 | 362.1618 | 362.1604 | C19H20O6 | −3.9 |
M1–M3 | 464.2 (M+H+) | 446.3, 428.3, 418.0, 400.1, 372.3, 360.3, 332.1 | 464.1927-464.1939 | 464.1921 | C23H29NO9 | −3.9a |
M4–M6 | 360.1 (M+H+) | 332.0, 314.2, 286.0, | 360.1438-360.1440 | 360.1447 | C19H21NO6 | 1.9a |
M7–M9 | 446.2 (M+H+) | 446.1790-446.1797 | 446.1815 | C23H27NO8 | 5.6a | |
M10–M11 | 378.2 (M+NH4+) | 333.3, 315.1, 287.2 | 378.1553, 378.1537 | 378.1553 | C19H20O7 | 4.2a |
M12–M13 | 377.2 (M+H+) | 359.1, 331.1, 303.1, 274.9, 257.1, 228.9 | 377.1232, 377.1239 | 377.1236 | C19H20O8 | 1.1a |
M14–M16 | 360.2 (M+H+) | 332.2, 314.2 | 360.1425-360.1525 | 360.1447 | C19H21NO6 | 6.1a |
M17–M18 | 390.2 (M+H+) | 362.2, 344.2 | 390.1562, 390.1534 | 390.1553 | C20H23NO7 | −2.3a |
M19–M20 | 390.2 (M+H+) | 362.2, 330.2, 312.1 | 390.1561, 390.1544 | 390.1553 | C20H23NO7 | 2.3a |
M21–M22 | 392.2 (M+H+) | 374.2, 343.2 | 392.1718, 392.1737 | 392.1709 | C20H25NO7 | −7.1a |
M23–M26 | 419.2 (M+H+) | 388.2, 387.2, 359.2, 349.1, 341.2, 309.1 | 419.1820-419.1838 | 419.1818 | C21H26N2O7 | −4.8a |
M27–M31 | 632.2 (M+H+) | 557.2, 335.6 (M+K++H+) | 632.1899-632.1933 | 632.1914 | C29H33N3O11S | −3.5a |
M32–M34 | 650.2 (M+H+) | 632.2, 575.2 | 650.1993-650.2010 | 650.2020 | C29H35N3O12S | 1.5a |
M35 | 939.3 (M+H+) | 864.2, 789.2, 761.2, 470.1 (M+2H+) | 939.2762 | 939.2752 | C39H50O17N6S2 | −1.1 |
HRMS, High Resolution Mass Spectrometry.
↵a The absolute value of the error is the biggest.