Date: Fri, 21 Jun 2019 18:40:05 +0000
The AMMRL group is really a wonderful NMR community.
A problem that I have been trying to solve for many days was solved here in a couple of minutes.
My experiment was run in 80% H2O/20%D2O on a 500 MHz instrument.
The three sets of triplets are from NH4+, NH3D+ and NH2D2+.
I would like to thank the following people for their explanation!
Weixing
-----------------------------------------------
Clemens Anklin, Bruker BioSpin
Yongbo Zhang, Northwestern University
Dean L. Olson, U. of Illinois at Urbana-Champaign
Peter Kaden, Helmholtz-Zentrum Dresden-Rossendorf, Germany
Andre Simpson, University of Toronto
Stephen Lynch, Stanford University
Perry J. Pellechia, University of South Carolina
Rainer Haessner, Technische Universität München, Germany
Dave Russell,
Kristie Adams, Steelyard Analytics, Inc.
Hsin Wang, The City College of New York
Jürgen Schulte, Binghamton University
Daniel Holmes, Michigan State University
Christopher Barr, University of Victoria
Laurine G. Galya, Incyte Research Institute
Novruz Akhmedov, West Virginia University
Huaping Mo, Purdue University
Virgil Simplaceanu, Carnegie Mellon University
Maria Silva Elipe, Amgen
Abil Aliev, University College London, UK
Dallas W. Hallberg, Evonik Industries
Tara Sprules, McGill University
Matthew Revington, University of Windsor
Michael Jablonsky, University of Alabama at Birmingham
James Hook, UNSW Sydney
David Vander Velde, California Institute of Technology
Eugene DeRose, National Institute of Environmental Health Sciences
Paul Krolikowski,
massefskiww_at_gmail.com<mailto:massefskiww_at_gmail.com>,
Kasper Enemark-Rasmussen, Technical University of Denmark
W. Clay Bracken, Weill Cornell Medicine
Roberto R. Gil, Carnegie Mellon University
Junfeng Xiang, Institute of Chemistry Chinese Academy of Sciences
Daniel Rentsch, Swiss Federal Laboratories for Materials Science and Technology<https://www.researchgate.net/institution/Empa-Swiss_Federal_Laboratories_for_Materials_Science_and_Technology>
Markus Enders, Universität Heidelberg, Germany
Sebastian Kemper, Technische Universität Berlin<https://www.researchgate.net/institution/Technische_Universitaet_Berlin>, Germany
Andrea Porzel, Leibnizinstitut für Pflanzenbiochemie, Germany
Reiner Dieden, Luxembourg Institute of Science and Technology
Ian Whitcombe
Jing Li
Lingyang Zhu, University of Illinois at Urbana-Champaign
Jarrett Farias
To: Zhang, Weixing <Weixing.Zhang_at_STJUDE.ORG<mailto:Weixing.Zhang_at_STJUDE.ORG>>; ammrl_at_ammrl.org<mailto:ammrl_at_ammrl.org>
Subject: Re: AMMRL: Impurity in library compounds
Caution: External Sender
Hi Weixing,
the 14N,H spin coupling in ammonium chloride is about 52 Hz. The broader peaks are probably also an ammonium species but with an additional splitting.
I think this is a 1:1:1 triplet for a coupling with a spin 1 nucleus only in one case and another species that has the same J(14N,1H) and an additional splitting with something or we are looking at NH4+, NH3D+ and NH2D2+. What is your H2O, D2O ratio?
Clemens
On 6/19/2019 8:14 PM, Zhang, Weixing wrote:
Exchangeable N-H and O-H protons also show positive peak in Water-LOGSY.
If these signals are from N-H or O-H, what molecule is it?
Thanks,
Weixing
________________________________
From: Zhang, Weixing
Sent: Wednesday, June 19, 2019 2:38 PM
To: ammrl_at_ammrl.org<mailto:ammrl_at_ammrl.org>
Subject: Impurity in library compounds
Hello All,
When we are analyzing our library compounds, we found an unknown impurity in many compounds.
The impurity has a splitting of 52 Hz and 9.4 Hz as shown in the (500 MHz NMR spectrum).
It aggregates in solution because Water-LOGSY shows positive signal.
Your suggestion to identify this impurity is appreciated!
Thanks,
Weixing
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