%0 Journal Article
%T Prediction of the Fragmentation Pathway of Atorvastatin by Using High Resolution Collision Induced Dissociation (HR-MS/MS) Spectral Information
%A Dev Kant Shandilya
%A Rekha Israni
%A Peter Edward Joseph
%A Venkata Siva Satyanarayana Kantamreddi
%J Open Access Library Journal
%V 4
%N 3
%P 1-8
%@ 2333-9721
%D 2017
%I Open Access Library
%R 10.4236/oalib.1103473
%X <div style="text-align:justify;">
	<span style="line-height:1.5;">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 </span><span style="line-height:1.5;">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.</span>
</div>
%K Atorvastatin
%K Small Drug Molecules
%K High Resolution Mass Spectrometry
%K Fragmentation
%K Rational Workflow
%K Interpretation
%U http://www.oalib.com/paper/5283474