Prediction of the Fragmentation Pathway of Valsartan Protonated Ion

Autor:	Rekha Israni, Dev Kant Shandilya, Peter Edward Joseph
Rok vydání:	2018
Předmět:	Electrospray Tandem Fragmentation (mass spectrometry) Computational chemistry Chemistry Ionization Molecule Protonation Mass spectrometry Ion
Zdroj:	OALib. :1-15
ISSN:	2333-9705 2333-9721
DOI:	10.4236/oalib.1104764
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::93ab55f859ecb2eb337beeaba7ad0b9c https://doi.org/10.4236/oalib.1104764 Zobrazit plný text záznamu