title: NMR quantification using an artificial signal.
abstract: 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 (1)H and (19)F 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.
authors.affiliation: Analytical Chemistry, GlaxoSmithKline Medicines Research Centre, Stevenage, Hertfordshire SG1 2NY, UK.
authors.forename: Roger D
authors.initials: RD
authors.lastname: Farrant
authors.forename: John C
authors.initials: JC
authors.lastname: Hollerton
authors.forename: Sean M
authors.initials: SM
authors.lastname: Lynn
authors.forename: Stefano
authors.initials: S
authors.lastname: Provera
authors.forename: Philip J
authors.initials: PJ
authors.lastname: Sidebottom
authors.forename: Richard J
authors.initials: RJ
authors.lastname: Upton
mesh_terms: D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D012815:Signal Processing, Computer-Assisted; D012984:Software