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Citation: TIAN Tian, LIU Shu-Yu, LI Shuang-Qing, LI Xiu-Qin, ZHANG Qing-He. Determination of Isotope Distribution and Abundance of Deuterium Labeled Compounds by High Resolution Mass Spectrometry[J]. Chinese Journal of Analytical Chemistry, ;2021, 49(4): 563-570. doi: 10.19756/j.issn.0253-3820.201620 shu

Determination of Isotope Distribution and Abundance of Deuterium Labeled Compounds by High Resolution Mass Spectrometry

1.
College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, Shanghai 201620, China;
2.
Division of Chemical Metrology and Analytical Science, National Institute of Metrology, Beijing 100029, China

Corresponding author: LIU Shu-Yu, LI Xiu-Qin,
Received Date: 23 October 2020
Revised Date: 16 February 2021

Fund Project: Supported by the Basic Research Project of National Institute of Metrology, China (Nos.AKY1956, AKY1924).

A new method for rapid detection of isotope distribution and abundance of deuterium-labeled compounds by quadrupole orbitrap high resolution mass spectrometry (Q-Orbitrap HRMS) was devoloped. The calculation methods of instrument mass deviation (IME) and isotope deviation (ID) were established firstly. Then, the applicable conditions of the method were defined, that was, instrument mass deviation was less than the isotope deviation (IME9 (TMQ-D₉) as an example, a peristaltic pump was used to inject the analyte working solution (100 μg/kg), and the total ion current diagram (TIC) in 1 min was collected. Mass spectrums were selected every 0.1 min on the TIC, and a total of 10 typical spectra were obtained for analysis. The effects of the allowable deviation (Δ) and the analysis quantity of mass spectrometry on the isotopic distribution and abundance were investigated. The results showed that the measurement results were accurate and reliable when the (Δ) value was less than the ID value of the analyte and the analysis quantity of mass spectrum was more than 10 pieces. The method was applied to the analysis of isotope distribution and abundance of TMQ-D₉ and 9 deuterium-labeled β-receptor agonists, and the detection results were compared with the "Mass cluster" classification detection results and the isotope abundance values labeled on standard products. It was found that the established method had higher sensitivity, and could find more unlabeled compounds. Besides, it was more simple and rapid, and suitable for wide application.
- Deuterium labeled compounds,
- Isotope distribution,
- Isotope abundance,
- High resolution mass spectrometry
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