Fragmentation pathways of 2‐substituted pyrrole derivatives using electrospray ionization ion trap and electrospray ionization quadrupole time‐of‐flight mass spectrometry

Abstract

Typical fragmentation mechanisms of 2-substituted pyrrole derivatives are proposed and elucidated based on the observations of ITMS(n) and QTOFMS spectra. The results showed that the fragmentation pathways were remarkably influenced by the side-chain substituents at the 2-position of pyrrole. This investigation should have value in the structural identification of this series of molecules or compounds with similar structures.

Thermal‐ and collision‐induced dissociation studies of functionalized imidazolium‐based ionic liquid cations

“…Similar results have been previously reported for 2-substituted pyrrole derivatives. 51 Thus, this may be generalizable among N-heterocycles that are common in ionic liquids. As expected, computational thermodynamics (Table 1) confirmed the stabilizing effect of the formation of the tropylium ion The incorporation of a nitro group changes the results a bit.…”

An integrated approach for detection and characterization of the trace impurities in levofloxacin using liquid chromatography-tandem mass spectrometry

“…DP-8, DP-12, DP-14, and DP-15 have been reported previously from standard mixture analysis and are described as main DPs in the literature. [34] The remaining eight impurities, including one process-related impurity and seven degradation products, have not been described previously.…”

Application of ultra‐performance liquid chromatography coupled with quadrupole time‐of‐flight mass spectrometry in identification of three isoflavone glycosides and their corresponding metabolites

“…Mass spectrometry (MS), especially quadrupole time-of-flight mass spectrometry (QTOF-MS) and ion trap mass spectrometry (ITMS n ), have been used in studies of structural identification due to their superiorities in rapidity, sensitivity, and low level of sample consumption. [1][2][3][4] QTOF-MS has also been widely used in studies of fragmentation mechanisms because it can provide accurate mass values and abundant precursor and product ions. QTOF-MS has been applied successfully in studies of fragmentation pathways of synthetic chemicals and naturally occurring components including coumarin, 5 warfarin 6 and isoflavones.…”