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KMID : 0385520110240010015
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Analytical Science & Technology
2011 Volume.24 No. 1 p.15 ~ p.23
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Development of chemical ionization method in a GC-TOF mass spectrometer for accurate mass and isotope ratio measurement
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Chung Joo-Hee
Na Yu-Cheol
Hwang Geum-Sook
Shin Jeoung-Hwa
An Yoon-Gyung
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Abstract
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An accurate mass and isotope ratio were determined using a gas chromatography/time of flight mass spectrometer in CI positive mode for the identification of unknown metabolites. High mass tune was used to improve the ion intensity of [M+H]?. Chromatographic resolution and dynamic range enhancement were performed to obtain more reliable accurate masses and correct isotope abundance ratios. Average absolute errors of mass and isotope ratios for 24 reference metabolite -TMS (trimethylsilyl) derivatives were 6.8 ppm, 1.5% of (M+1/M ratio) and 1.7% of (M+2/M ratio), respectively. The correct formulas of twenty one compound were retrieved within top-2 hit from the heuristic algorithm for elemental composition using each accurate mass and isotope abundance ratio.
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KEYWORD
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accurate mass, isotope ratio, GC-TOF/MS, positive CI, metabolites
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