Prediction of the Fragmentation Pathway of Atorvastatin by Using High Resolution Collision Induced Dissociation (HR-MS/MS) Spectral Information - Open Access Library Journal

OALibJ > Vol.4 No.3, March 2017

Volume 4, Issue 3 (March 2017)

ISSN Print: 2333-9705 ISSN Online: 2333-9721

Google-based Impact Factor: 1.18 Citations

Prediction of the Fragmentation Pathway of Atorvastatin by Using High Resolution Collision Induced Dissociation (HR-MS/MS) Spectral Information ()

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DOI: 10.4236/oalib.1103473 1,323 Downloads 3,072 Views Citations

Author(s)

Dev Kant Shandilya^1*, Rekha Israni¹, Peter Edward Joseph², Venkata Siva Satyanarayana Kantamreddi³

Affiliation(s)

¹Department of Research, Bhagwant University, Ajmer, India.
²Department of Chemistry, St. John’s College, Agra, India.
³Centre for Chemical Analysis, Central Research Laboratory, GIT, GITAM University, Visakhapatnam, India.

ABSTRACT

Introduction: A possible fragmentation pathway of atorvastatin was proposed based on rational interpretation of high resolution collision induced dissociation (CID) fragmentation spectral data. Method: The mass spectral (MS and MS/MS) data of atorvastatin was obtained by using a flow injection analysis, LC coupled with high resolution mass analyzer system with Q-TOF technology. Results: The elemental composition for each major fragment was proposed with a calculated mass error in parts per million (ppm). The mass error found in this study is from 0.3 to 5.7 ppm; strongly supports all the proposed elemental composition of fragments. Based on the fragments, possible fragmentation pathway was proposed. Conclusion: The workflow followed for interpretation can also address the structural possibilities of similar type of small organic molecules.

KEYWORDS

Atorvastatin, Small Drug Molecules, High Resolution Mass Spectrometry, Fragmentation, Rational Workflow, Interpretation

Share and Cite:

Shandilya, D. , Israni, R. , Joseph, P. and Kantamreddi, V. (2017) Prediction of the Fragmentation Pathway of Atorvastatin by Using High Resolution Collision Induced Dissociation (HR-MS/MS) Spectral Information. Open Access Library Journal, 4, 1-8. doi: 10.4236/oalib.1103473.

Cited by

[1]	Prediction of the Fragmentation Pathway of Atorvastatin De-Protonated Ion
	2018

[2]	Prediction of the Fragmentation Pathway of Valsartan Protonated Ion
	2018

[3]	Identification of Oxidative Degradation Products of Lansoprazole by Using High Resolution Mass Spectrometry Spectral Data
	2017

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