Development of chemical ionization method in a GC-TOF mass spectrometer for accurate mass and isotope ratio measurement

정주희; 안윤경; 나윤철; 황금숙; 신정화

doi:10.5806/AST.2011.24.1.015

오늘 하루 그만보기

P-ISSN1225-0163
E-ISSN2288-8985
SCOPUS, ESCI, KCI

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P-ISSN 1225-0163
E-ISSN 2288-8985

e-Submission

Vol.24, No.1

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Development of chemical ionization method in a GC-TOF mass spectrometer for accurate mass and isotope ratio measurement

Analytical Science and Technology / Analytical Science and Technology, (P)1225-0163; (E)2288-8985

2011, v.24 no.1, pp.15-23

https://doi.org/10.5806/AST.2011.24.1.015

& (2011). Development of chemical ionization method in a GC-TOF mass spectrometer for accurate mass and isotope ratio measurement. , 24(1), 15-23, https://doi.org/10.5806/AST.2011.24.1.015

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Abstract

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.