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. Author manuscript; available in PMC: 2022 Aug 4.
Published in final edited form as: Anal Chem. 2021 Apr 21;93(17):6629–6637. doi: 10.1021/acs.analchem.0c04220

TABLE 1:

2D 1H{15N}-HSQC quantification of a mixture of 13C-acetate isotopomers.

Mixtures of acetate isotopomers a Reaction ratios b Ratios determined by
2D 1H{15N} HSQC c
13CH312COOH + 12CH313COOH 1:1.24 1:1.28
12CH312COOH + 13CH312COOH + 12CH313COOH 1:1:1 1:1:1.14
12CH312COOH+13CH313COOH 1:1 1:1.21
12CH313COOH + 13CH313COOH 1:1.2 1:1.3
a

Isotopomer mixtures were derivatized with 15N-cholamine and analyzed as described in the Methods.

b

Isotopomer ratios used for derivatization as determined by methyl peaks quantified in 1D NMR

c

Isotopomer ratios determined by volume integration of cross-peaks in the high-resolution 1H{15N}-HSQC spectrum; estimated errors on volume integration were < 10%