Time-Domain-Based Methyl Proton NMR with Absolute Quantitation Ability for Targeted Metabolomics

NWIPB OpenIR

	Time-Domain-Based Methyl Proton NMR with Absolute Quantitation Ability for Targeted Metabolomics
	Zou, DL; Chen, T; He, LL; Wang, Q; Wang, QQ; La, M; Li, YL; Jiang, RW
	2022
发表期刊	ANALYTICAL CHEMISTRY
卷号	94 期号:28 页码:10062
摘要	In high-throughput scenarios of targeted metabolomics, it is a significant challenge to process complex NMR spectra with severely overlapping signals produced by metabolites with similar chemical structures. Traditional frequency-domain NMR is ineffective to some degree due to the low sensitivity and poor resolution, and the precision of quantitation is usually affected by poorly or inconsistently phased and baselined spectra. Here, we established a strategy based on time-domain NMR focusing on methyl protons for targeted metabolomics. The targeted metabolomics focusing on bufadienolides for varietal discrimination of three toad venoms was conducted to demonstrate the practicability of time-domain-based methyl proton NMR. It revealed that the signals could be precisely identified and quantitated with an signal-to-noise ratio (SNR) of about 10 and a resolution of about 1.0 Hz. The sensitivity and resolution improvement make it particularly applicable in targeted metabolomics. The precise and absolute quantitation ability confirmed by triple-quadrupole mass spectrometry (QqQ-MS) could further extend its application range. Importantly, the methyl group is common in metabolites with a relatively wide chemical shift range. Time-domain analysis could be conducted in common NMR software. This technique is very easy and convenient for general researchers when employed as a complementary alternative to traditional frequency-domain NMR, especially in the field of targeted metabolomics.
收录类别	SCIE
文献类型	期刊论文
条目标识符	http://210.75.249.4/handle/363003/61164
专题	中国科学院西北高原生物研究所
推荐引用方式 GB/T 7714	Zou, DL,Chen, T,He, LL,et al. Time-Domain-Based Methyl Proton NMR with Absolute Quantitation Ability for Targeted Metabolomics[J]. ANALYTICAL CHEMISTRY,2022,94(28):10062.
APA	Zou, DL.,Chen, T.,He, LL.,Wang, Q.,Wang, QQ.,...&Jiang, RW.(2022).Time-Domain-Based Methyl Proton NMR with Absolute Quantitation Ability for Targeted Metabolomics.ANALYTICAL CHEMISTRY,94(28),10062.
MLA	Zou, DL,et al."Time-Domain-Based Methyl Proton NMR with Absolute Quantitation Ability for Targeted Metabolomics".ANALYTICAL CHEMISTRY 94.28(2022):10062.