1997 Fiscal Year Final Research Report Summary
Trial of the Preparation of Data Acquisition Format and the Construction of Database for FABMS
| Project/Area Number |
07555263
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| Research Category |
Grant-in-Aid for Scientific Research (A)
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| Allocation Type | Single-year Grants |
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| Section | 展開研究 |
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| Research Field |
工業分析化学
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| Research Institution | NARA WOMEN'S UNIVERSITY |
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Principal Investigator |
YAMAMOTO Masao Nara Women's University Fac.Science, Professor, 理学部, 教授 (80028159)
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| Co-Investigator(Kenkyū-buntansha) |
SAKAI Toshio Mitsubishi Chemical Co.Tsukuba Institute, Research Fellow, 筑波研究所, リサーチフェロー
SAWADA Masami Osaka Univ.Inst.Scientific and Industrial Res., Associate Professor, 産業科学研究所, 助教授 (70029883)
FUJISE Yutaka Hamamatsu Univ.Medicine Fac.Medicine, Professor, 医学部, 教授 (60004355)
ABE Hidetsugu Toyohashi Univ.Technology Fac.Technology, Professor, 工学部, 教授 (00006470)
HAYASHI Akira Kinki Univ. Fac.Science and Technology, Professor, 理工学部, 教授 (20088313)
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| Project Period (FY) |
1995 – 1997
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| Keywords | FABMS Database / FABMS Data Acquisition / Classification of Mass Spectra / Knowledge about Fragmentations |
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| Research Abstract |
The objects of this project are the preparation of the standardrized FABMS (Fast Atom Bombardment Mass Spectra) data acquisition format and the trial of the construction of FABMS detabase. The FAB mass spectrometry is used as a powerful tool for determining molecular formulae of non-volatile, high-molecular weight compounds, especially biochemical compounds. Though FABMS are very useful, its database is not completed yet for some difficulties. For executing this project, a scientist of the private corporation joined us and gave much more know-how's for measurements. The same samples of proteins, sugars and tetracyclins were measured by using several different type machines. From these FABMS data, the methods of data rearrangements and the standard conditions of measurements were examined. Therefore, the database contains not only spectral data an structural formula, but also detailed masuring conditions such as FAB targets, atomic species for bombardment, liquid matrices used, and etc. The conditions recorded in the database are quite useful for rhose who wish to measure similar kinds of compounds. For the knowledge database it has been tried that the structure informations of compounds from the fragment ion peaks are predicted by using the semiempirical MO calculations.
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