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3D Elucidation – Setting the Scene

Introduction The idea behind ex-novo assisted 3D elucidation is to process a set of spectroscopic data obtained from a sample in order to describe all the […]
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ENC 2012 – Poster – Reaction Monitoring using NMR – Data Manipulation Solutions,

Title: Reaction Monitoring using NMR – Data Manipulation Solutions, Authors: Carlos Cobas, Isaac Iglesias, and Michael Bernstein Date: 2012/04/15 Download link:  http://mestrelab.com/pdf/posters/enc-2012/ENC_2012_1.pdf   Download Publication
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ENC 2012 – Poster – Automated QC with Compound Structure Verification and Quantitation

Title: Automated QC with Compound Structure Verification and Quantitation Authors: Michael Bernstein, Carlos Cobas, Felipe Seoane, Stanislav Sykora. Date: 2012/04/15 Reference: 52nd ENC Conference, April 15-20, […]
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Starting Guide to install Mnova DB Server / MyData

Downloading Client & Server In order to use Mnova DB you will need to install and license the client side (included in Mnova) and the server […]
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Dereplication, Residual Complexity, and Rational Naming: The Case of the Actaea Triterpenes

Title: Dereplication, Residual Complexity, and Rational Naming: The Case of the Actaea Triterpenes Authors: Feng Qiu, Ayano Imai, James B. McAlpine, David C. Lankin, Ian Burton, […]
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ReactNMR and ReactIR as Reaction Monitoring and Mechanistic Elucidation Tools: The NCS Mediated Cascade Reaction of α-Thioamides to α-Thio-β-chloroacrylamides

Title: ReactNMR and ReactIR as Reaction Monitoring and Mechanistic Elucidation Tools: The NCS Mediated Cascade Reaction of α-Thioamides to α-Thio-β-chloroacrylamides Authors: David A. Foley, Christopher W. […]
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Differential Metabolic Regulation Governed by the Rice SUB1A Gene during Submergence Stress and Identification of Alanylglycine by 1H NMR Spectroscopy

Title: Differential Metabolic Regulation Governed by the Rice SUB1A Gene during Submergence Stress and Identification of Alanylglycine by 1H NMR Spectroscopy Authors: Gregory A. Barding, Jr., […]
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Assisted NMR assignments using the predictions

use Predict&Compare (or Predict&Verify) to carry out your assignments. Just open a 1D dataset with a molecular structure and follow the menu ‘Analysis/Predict&Compare’.

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Transferring NMR assignments

The automatic assignment deduction from 2D spectra are applied only when the user makes a manual assignment to a multiplet box in the 1H spectrum and […]
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