TITLE:
Prediction of the Fragmentation Pathway of Valsartan Protonated Ion
AUTHORS:
Dev Kant Shandilya, Rekha Israni, Peter Edward Joseph
KEYWORDS:
Valsartan, Small Organic Molecules, Fragmentation Pathway, Protonated Ion, Fragmentation, Interpretation
JOURNAL NAME:
Open Access Library Journal,
Vol.5 No.9,
September
30,
2018
ABSTRACT: Introduction: A fragmentation pathway of valsartan protonated ion proposed based on rational interpretation workflows. Method: The mass spectral data (MS, MS/MS, and MS3) of valsartan protonated ion, were attained by electrospray positive ionization with flow injection analysis; using liquid chromatography systems hyphenated with hybrid tandem mass spectrometer (Q-trap). Results: The pathway of fragmentation was established using product ions of the protonated ion; elemental composition, molecular structure and mechanism of formation for significant product ions were proposed. A pathway was proposed based on the MS/MS and MS3 spectral data in combination with basic interpretation rules and rational workflows. Conclusion: Workflow used for data interpretation can be useful for writing the fragmentation pathway, a mechanism for the formation of fragments, and can be applied for mass spectral data interpretation of similar small organic molecules.