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.
Cite this paper
Shandilya, D. K. , Israni, R. , Joseph, P. E. and Kantamreddi, V. S. S. (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, e3473. doi: http://dx.doi.org/10.4236/oalib.1103473.
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