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Preparation of Mass spectrum library of various medicines for LC/MS measurement

Research Project

Project/Area Number 15591923
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Emergency medicine
Research InstitutionAichi Medical University School of Medicine

Principal Investigator

HATTORI Hideki  Aichi Medical University, School of Medicine, Associate Professor, 医学部, 助教授 (30107817)

Project Period (FY) 2003 – 2004
Project Status Completed (Fiscal Year 2004)
Budget Amount *help
¥3,600,000 (Direct Cost: ¥3,600,000)
Fiscal Year 2004: ¥1,000,000 (Direct Cost: ¥1,000,000)
Fiscal Year 2003: ¥2,600,000 (Direct Cost: ¥2,600,000)
Keywordslibrary / Iontrap type LC / MS / LCQ / MS spectrum / Positive / ESI mode / Xcalibur / LC / ESIポジティブイオン / イオンストラップ / 薬物
Research Abstract

We have constructed MS and MS/MS spectrum libraries of about 200 drugs using an LCQ LC/MS system. In most drugs, MS and MS/MS spectra were obtained. Barbiturates and organophosphorus pesticides were not fully ionized and impossible to obtain spectra. The LC conditions were : The elution gradient was 0 % B (100 % A 5 min hold) to 80 % B (20 % A) over 20 min at flow rate of 0.2 ml/min:solvent A was distilled water containing 7.5 mM ammonium acetate, and solvent B acetonitrile containing 0.05 % formic acid. The MS conditions were ionization, positive ESI ; capillary temperature, 270゜C ; Sheath gas flow and auxiliary gas flow, 90 and 30 unit (arbitrary unit) ; source voltage, 5.80 kV ; capillary voltage, 16V ; max ion time, 200ms ; respectively. The M /MS conditions were : isolation width, 2.0 m/z; normalized collision energy, 40 %, respectively. Using the column enable direct injection of crude sample, most compounds seemed to be sufficiently separated Our results suggest the above conditions are useful and applicable for the screening of drugs in clinical and forensic toxicology.

Report

(3 results)
  • 2004 Annual Research Report   Final Research Report Summary
  • 2003 Annual Research Report

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Published: 2003-04-01   Modified: 2016-04-21  

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