Robust Metabolite Quantification from J-Compensated 2D 1H-13C-HSQC Experiments.

ABSTRACT: The spectral resolution of 2D 1H-13C heteronuclear single quantum coherence (1H-13C-HSQC) nuclear magnetic resonance (NMR) spectra facilitates both metabolite identification and quantification in nuclear magnetic resonance-based metabolomics. However, quantification is complicated by variations in magnetization transfer, which among others originate mainly from scalar coupling differences. Methods that compensate for variation in scalar coupling include the generation of calibration factors for individual signals or the use of additional pulse sequence schemes such as quantitative HSQC (Q-HSQC) that suppress the JCH-dependence by modulating the polarization transfer delays of HSQC or, additionally, employ a pure-shift homodecoupling approach in the 1H dimension, such as Quantitative, Perfe

SUBMITTER: Weitzel A 

PROVIDER: S-EPMC7695005 | biostudies-literature | 2020 Nov

REPOSITORIES: biostudies-literature