Prediction of the Fragmentation Pathway of Atorvastatin by Using High Resolution Collision Induced Dissociation (HR-MS/MS) Spectral Information
| Autor: | Peter Edward Joseph, Venkata Siva Satyanarayana Kantamreddi, Rekha Israni, Dev Kant Shandilya |
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| Rok vydání: | 2017 |
| Předmět: |
Flow injection analysis
Elemental composition Collision-induced dissociation 010405 organic chemistry Chemistry Atorvastatin 010401 analytical chemistry Analytical chemistry Parts-per notation High resolution 01 natural sciences 0104 chemical sciences Fragmentation (mass spectrometry) medicine Spectral data medicine.drug |
| Zdroj: | OALib. :1-8 |
| ISSN: | 2333-9705 2333-9721 |
| DOI: | 10.4236/oalib.1103473 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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