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Isotopic abundance detection method for D, 13C or 15N labeled organic compounds

A technology for organic compounds and isotopic abundances, which can be used in measurement devices, instruments, scientific instruments, etc., and can solve the problems of cumbersome operations, long time consumption, and inaccurate isotopic abundance results in the transformation process.

Inactive Publication Date: 2014-10-29
SHANGHAI RES INST OF CHEM IND +1
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  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

Isotopic abundance results are inaccurate when samples are not pure
[0006] 3. The conversion process is cumbersome, time-consuming and costly
In summary, the gas isotope method is very suitable for 13 C or 15 The isotopic abundance detection of N-labeled inorganic and a small amount of organic compounds, for the vast majority of D, 13 C or 15 Difficulties in the detection of isotopic abundance of N-labeled organic compounds

Method used

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  • Isotopic abundance detection method for D, 13C or 15N labeled organic compounds
  • Isotopic abundance detection method for D, 13C or 15N labeled organic compounds
  • Isotopic abundance detection method for D, 13C or 15N labeled organic compounds

Examples

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Embodiment 1

[0070] Salbutamol-D 3 D isotope label abundance analysis

[0071] Sample pretreatment, chromatographic conditions and mass spectrometry parameters are as described in the summary of the invention. Salbutamol-D 3 The structural formula and mass spectrum of figure 1 shown.

[0072] Target compound albuterol-D 3 The molecular formula is C 13 h 18 NO 3 D. 3 , after electrospray ionization will form [M+H] + molecular ions. Through the "mass cluster" classification method, the target compound ions can be divided into [C 13 h 19 NO 3 (H 3 D. 0 )] + , [C 13 h 19 NO 3 (H 2 D. 1 )] + , [C 13 h 19 NO 3 (H 1 D. 2 )] + and [C 13 h 19 NO 3 (H 0 D. 3 )] + Four "mass clusters", as shown in Table 2. Their mass distributions are similar to those of the non-marked sites "C 13 h 19 NO 3 "The natural isotope distribution is the same, according to the calculation results of the isotope abundance calculator, the isotope distribution ratio is 0.858:0.127:0.014:0.0...

Embodiment 2

[0088] Caprylic acid-1- 13 Isotopic abundance analysis of C

[0089] Sample pretreatment, chromatographic conditions and mass spectrometry parameters are as described in the summary of the invention. For octanoic acid-1- 13 C, due to its better negative ion signal response, the negative ion scanning mode is used. Caprylic acid-1- 13 The structural formula and mass spectrum of C are as follows figure 2 shown.

[0090] The target compound octanoic acid-1- 13 The molecular formula of C is C 7 h 16 o 2 13 C, [M-H] will be formed after electrospray ionization - molecular ions. Through the "mass cluster" classification method, the target compound ions can be divided into [C 7 h 15O2 ( 12 C 1 13 C 0 )] - and [C 7 h 15 o 2 ( 12 C 0 13 C 1 )] - Two "mass clusters", as shown in Table 4. Their mass distributions are similar to those of the non-marked sites "C 7 h 15 o 2 "The natural isotope distribution is the same, according to the calculation results of t...

Embodiment 3

[0102] L-alanine- 15 N isotopic abundance analysis

[0103] Sample pretreatment, chromatographic conditions and mass spectrometry parameters are as described in the summary of the invention. L-alanine- 15 The structural formula and mass spectrum of N are as follows image 3 shown.

[0104] Target compound L-alanine- 15 The molecular formula of N is C 3 h 7 o 2 15 N, will form [M+H] after electrospray ionization + molecular ions. Through the "mass cluster" classification method, the target compound ions can be divided into [C 3 h 8 o 2 ( 14 N 1 15 N 0 )]+ and [C 3 h 8 o 2 ( 14 N 0 15 N 1 )] + Two "mass clusters", as shown in Table 6. Their mass distributions are similar to those of the non-marked sites "C 3 h 8 o 2 "The natural isotope distribution is the same, according to the calculation results of the isotope abundance calculator, the isotope distribution ratio is 0.963:0.033:0.004.

[0105] Table 6 According to the "mass cluster" to the target c...

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Abstract

The invention relates to an isotopic abundance detection method for D, 13C or 15N labeled organic compounds. A high performance liquid chromatograph mass spectrometer is used to obtain the mass spectrometry data of a target compound, and the spectrometry data is analyzed through a ''quality cluster'' classification calculation method, so as to realize the isotopic abundance detection of D, 13C or 15N labeled organic compounds. The detection objects are D, 13C or 15N labeled organic compounds. The detection instrument is a high performance liquid chromatograph mass spectrometer, and the liquid chromatography part is used as an automatic sampling device to achieve high throughput sample introduction; an electro-spray ionization mass spectrometry is used as a detector to obtain mass data acquisition. A ''quality cluster '' classification method is used as a calculation method, and through the analysis of the distribution of mass distribution of various ''quality clusters'' on the contribution of the mass distribution of the target compound (mass spectrum data of target compound), the mole fraction of each ''cluster quality'' is calculated, so as to calculate the isotope labeling abundance of the target compound.

Description

technical field [0001] The present invention relates to isotope abundance detection method, especially relate to a method for D, 13 C or 15 Isotopic abundance detection method for N-labeled organic compounds. Background technique [0002] D. 13 C or 15 N-labeled organic compounds are an important class of reagents, which are widely used in the fields of biology, medicine, agriculture and the environment due to their unique tracer properties. In the field of biology, with the advent of the human post-genome era, proteomics research has become a hot spot in biological research. Stable isotope-labeled amino acid tracer has become an important scientific research method in elucidating the biological function of a specific protein, protein-protein interaction relationship and quantitative proteomics. At present, the isotope-coded affinity labeling method (ICATTM), which is widely used in biology, and the stable isotope labeling technique for amino acids in cell culture (SILA...

Claims

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Application Information

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IPC IPC(8): G01N30/02
Inventor 郑波杜晓宁张维冰
Owner SHANGHAI RES INST OF CHEM IND
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