2014 Fiscal Year Research-status Report
化合物同定及び異性体識別に資する閾値エネルギー分解IMS/MS/MS法の開発
| Project/Area Number |
25513011
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| Research Institution | The Institute of Physical and Chemical Research |
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Principal Investigator |
中村 健道 独立行政法人理化学研究所, 連携支援ユニット, 専任研究員 (10360611)
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| Project Period (FY) |
2013-04-01 – 2017-03-31
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| Keywords | tandem mass spectrometry / collision energy / CID MS/MS / isomer / energy-resolved MS/MS / ion mobility / fragmentation |
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| Outline of Annual Research Achievements |
Tandem mass spectrometry (MS/MS) has widely been used for structural analysis of organic molecules in the past three decades. High-energy collision-induced dissociation (CID) MS/MS by using tandem sector instruments played a major role in the early days of MS/MS applications but they have soon been taken over by various tandem instruments capable of low-energy CID experiments with rf-confining collision cells. The low-energy regime CID experiments, which have been in the main stream since 1990s, involve a number of variables including collision energy, which affects quality and quantity of information obtainable from MS/MS spectra. In typical MS/MS experiments, collision energy is set at a value known to be optimum for each class of analyte. Alternatively, collision energy can be scanned systematically to follow energy-dependent fragmentation processes. Although the potential of such energy-resolved (ER) experiments in fundamental research has been well recognized since early days of MS/MS, it has rarely been applied to structural characterization due to limitations in speed and sensitivity. To enhance the utility of ER MS/MS in structural characterization and isomer differentiation of small organic molecules, we've integrated ER MS/MS with fast-gradient liquid chromatography, which typically gives a few-seconds-wide peaks. The integration enabled us acquisition of LC/ER MS/MS datasets in a high-throughput manner. The ER MS/MS datasets can be linked with ion mobility spectrometry datasets, the latter was also shown to be acquired on-the-fly.
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| Current Status of Research Progress |
Current Status of Research Progress
3: Progress in research has been slightly delayed.
Reason
As there has been a slight delay in the progress of original research plan due to an unexpected failure of one of the instrument in the fiscal year of 2013, some of the experiments originally planned were replaced to other experiments that can be carried out with the resource currently available. Although the work according to new plan for the fiscal year 2014 proceeded rather smoothly, the delay to be caught up in the next year still remains.
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| Strategy for Future Research Activity |
By using the method established for the acquisition of LC/ER MS/MS datasets with ion mobility spectra, standard data will be acquired for small organic compounds including common metabolites for compilation. Now the data acquisition can be done in a high-throughput manner, data processing is a current bottleneck of the workflow. This problem shall be resolved by some software development and re-adjustment of the workflow. Implementation of semi-automatic data processing in the workflow of LC/ER MS/MS dataset handling is planned.
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| Causes of Carryover |
As there has been a slight delay in the progress of original research plan due to an unexpected failure of one of the instrument in the fiscal year of 2013, some of the experiments originally planned were replaced to other experiments that can be carried out with the resource currently available. Although the work according to new plan for the fiscal year 2014 proceeded rather smoothly, the delay to be caught up in the next year still remains.
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| Expenditure Plan for Carryover Budget |
In the fiscal year of 2015, further resource for acquiring standard datasets and data processing will be necessary to catch up and to accomplish the purpose of research. Increase in the demand for supplies including consumables, chemicals, and the computational resource is anticipated. The amount is planned to be used to cover those increased demands in the fiscal year of 2015.
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Research Products
(5 results)
