TABLE 3

Observed and calculated m/z values of the unique ions in the MS/MS spectrum of M9


Measured m/za

Calculated m/z

Elemental Composition

Error
mDa
504.2618 504.2603 C27H38NO8 +1.5
472.2351 472.2341 C26H34NO7 +1.0
175.1112
175.1128
C12H15O
−1.6
  • a Accurate mass measurements were made using the molecular ion of m/z 1044.5897 and the known fragment ion of m/z 168.0661 as references.