NMR quantification using an artificial signal

被引:72
作者
Farrant, Roger D. [1 ]
Hollerton, John C. [1 ]
Lynn, Sean M. [1 ]
Provera, Stefano [2 ]
Sidebottom, Philip J. [1 ]
Upton, Richard J. [1 ]
机构
[1] GlaxoSmithKline Med Res Ctr, Stevenage SG1 2NY, Herts, England
[2] GlaxoSmithKline Ric SpA, Verona, Italy
关键词
NMR; H-1; F-19; qNMR; absolute intensity; QUANTAS; quantification; PULCON; ERETIC; QUANTITATIVE H-1-NMR; NATURAL-PRODUCTS; ERETIC METHOD; PROTON NMR; PROBE;
D O I
10.1002/mrc.2647
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
We have developed QUANTAS (QUANTification by Artificial Signal), which is a software-based protocol for concentration measurement by NMR. QUANTAS is an absolute intensity external standard method for quantification by NMR that compensates for various experimental parameters. It is applicable to all nuclei and modern spectrometers. QUANTAS is demonstrated here for H-1 and F-19 NMR, enabling heteronuclear integrals to be compared. It can be applied using fixed probe tuning, matching and pulse length, for samples with the same effective loading on the probe coil as the appropriate reference spectrum. Otherwise, an optimised tuning and matching approach is adopted for every sample together with explicit PULCON (PUlse Length-based CONcentration measurements) absolute intensity corrections. Copyright (C) 2010 John Wiley & Sons, Ltd.
引用
收藏
页码:753 / 762
页数:10
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