Acrylamide

Simulation outputs:

	Parameter	Value
	Field strength	499.84(MHz)
	RMSD of the fit	0.01581
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)
	Note 1	None

Sample description:

Compound	Type	Concentration
Acrylamide	Solute	100mM
D2O	Solvent	100%
sodium phosphate	Buffer	50mM
sodium azide	Cytocide	500uM
DSS	Reference	500uM

Show/Hide Spin System Matrix

Spin System Matrix

	8	6	7
8	5.814	1.398	10.511
6	0	6.219	17.271
7	0	0	6.284

Spectra

Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale

PPM	Amplitude	Peak Type
5.80237	0.625155	standard
5.80619	0.635245	standard
5.82231	0.692324	standard
5.82601	0.68603	standard
6.19587	0.320069	standard
6.19957	0.375732	standard
6.23036	1.00018	standard
6.23406	0.942372	standard
6.26113	0.913897	standard
6.28097	0.791149	standard
6.29564	0.298222	standard
6.31558	0.315259	standard
-0.811997	1.125e-06	standard
5.59742	0.0713234	standard
5.73876	0.11411	standard
5.79123	0.183571	standard
5.93154	0.413859	standard
6.19342	1.0	standard
6.32811	0.259643	standard
6.39128	0.179386	standard
6.78746	0.00812612	standard
-0.969306	1.125e-06	standard
5.69229	0.133874	standard
5.77909	0.189875	standard
5.8123	0.218201	standard
5.89889	0.322681	standard
6.01346	0.074782	standard
6.09768	0.079486	standard
6.20927	1.0	standard
6.29316	0.363911	standard
6.33183	0.318813	standard
6.61185	0.01479	standard
5.57243	0.00718612	standard
5.72847	0.162315	standard
5.78898	0.206986	standard
5.81998	0.233288	standard
5.88032	0.30645	standard
6.0371	0.0503364	standard
6.06404	0.064675	standard
6.21853	1.00002	standard
6.27704	0.396764	standard
6.31177	0.356922	standard
6.52482	0.0212664	standard
5.59797	0.007489	standard
5.73947	0.173582	standard
5.79136	0.212912	standard
5.82193	0.239585	standard
5.87387	0.30412	standard
6.01547	0.0384373	standard
6.08203	0.0603068	standard
6.22187	1.0	standard
6.27183	0.409655	standard
6.3061	0.368747	standard
6.49595	0.0248565	standard
5.61822	0.00773504	standard
5.748	0.184351	standard
5.79308	0.219176	standard
5.82336	0.246578	standard
5.86842	0.304672	standard
5.99829	0.033404	standard
6.09651	0.061052	standard
6.2245	1.00001	standard
6.26773	0.423039	standard
6.30178	0.380006	standard
6.3971	0.011541	standard
6.47306	0.0287924	standard
5.7831	0.336757	standard
5.79969	0.353661	standard
5.82624	0.39492	standard
5.84272	0.429501	standard
5.92299	0.0195354	standard
6.14608	0.041576	standard
6.16254	0.125625	standard
6.23227	0.841149	standard
6.24303	1.00009	standard
6.28572	0.571687	standard
6.32883	0.055879	standard
6.37191	0.0951412	standard
5.79403	0.506001	standard
5.80264	0.517989	standard
5.82497	0.568524	standard
5.83358	0.584118	standard
5.90117	0.0127134	standard
6.17516	0.138021	standard
6.18374	0.232809	standard
6.23262	0.982967	standard
6.24127	0.904899	standard
6.25127	1.00021	standard
6.28225	0.758494	standard
6.30882	0.150683	standard
6.33978	0.193343	standard
5.7993	0.581587	standard
5.80461	0.595148	standard
5.82349	0.636147	standard
5.8289	0.644486	standard
6.18843	0.238426	standard
6.19383	0.311094	standard
6.23154	1.00029	standard
6.23695	0.911463	standard
6.25696	0.948784	standard
6.28126	0.789775	standard
6.3002	0.232816	standard
6.32441	0.262695	standard
5.80237	0.625219	standard
5.80619	0.635306	standard
5.82231	0.692374	standard
5.82601	0.686081	standard
6.19587	0.320179	standard
6.19957	0.375833	standard
6.23036	1.00018	standard
6.23406	0.942383	standard
6.26113	0.913948	standard
6.28097	0.791231	standard
6.29564	0.298359	standard
6.31548	0.315397	standard
5.80446	0.674239	standard
5.80727	0.682034	standard
5.82132	0.730689	standard
5.82413	0.725173	standard
6.20042	0.389214	standard
6.20334	0.433445	standard
6.22917	1.00032	standard
6.23208	0.954618	standard
6.26411	0.899529	standard
6.28097	0.800104	standard
6.29296	0.355894	standard
6.30973	0.363283	standard
5.80595	0.702382	standard
5.80816	0.708612	standard
5.82053	0.752428	standard
5.82274	0.747682	standard
6.20359	0.443153	standard
6.20591	0.477764	standard
6.22828	1.00016	standard
6.23049	0.965257	standard
6.26649	0.873766	standard
6.28107	0.792915	standard
6.29118	0.396839	standard
6.30576	0.397042	standard
5.80655	0.72524	standard
5.80856	0.731053	standard
5.82012	0.764342	standard
5.82225	0.759607	standard
6.20478	0.473397	standard
6.20691	0.504936	standard
6.22778	1.00048	standard
6.2299	0.968163	standard
6.26748	0.878367	standard
6.28107	0.803566	standard
6.29049	0.421453	standard
6.30418	0.41894	standard
5.80704	0.739848	standard
5.80885	0.745133	standard
5.81983	0.77526	standard
5.82176	0.770828	standard
6.20588	0.504452	standard
6.20769	0.531983	standard
6.22738	1.00051	standard
6.22931	0.971615	standard
6.26837	0.871031	standard
6.28117	0.802639	standard
6.28989	0.438718	standard
6.30279	0.433732	standard
5.80783	0.753007	standard
5.80946	0.757756	standard
5.81933	0.794583	standard
5.82096	0.790615	standard
6.20755	0.538919	standard
6.20919	0.562048	standard
6.22669	1.00065	standard
6.22832	0.977103	standard
6.26986	0.860291	standard
6.28126	0.802213	standard
6.289	0.469365	standard
6.30051	0.460827	standard
5.80822	0.763389	standard
5.80976	0.767941	standard
5.81914	0.817659	standard
5.82056	0.814019	standard
6.20824	0.55739	standard
6.20978	0.578662	standard
6.22638	1.00088	standard
6.22793	0.979264	standard
6.27045	0.858633	standard
6.28136	0.804649	standard
6.2887	0.484483	standard
6.29951	0.47462	standard
5.80852	0.773008	standard
5.80996	0.777348	standard
5.81883	0.81143	standard
5.82027	0.807689	standard
6.20883	0.574591	standard
6.21028	0.594104	standard
6.22609	1.00105	standard
6.22753	0.981262	standard
6.27105	0.855599	standard
6.28146	0.805605	standard
6.28831	0.497872	standard
6.29872	0.486449	standard
5.80911	0.792582	standard
5.81036	0.804863	standard
5.81853	0.825696	standard
5.81978	0.822311	standard
6.20993	0.605541	standard
6.21117	0.6217	standard
6.22559	1.00112	standard
6.22684	0.984694	standard
6.27214	0.844761	standard
6.28156	0.801486	standard
6.28781	0.51771	standard
6.29723	0.51585	standard
5.80989	0.833814	standard
5.81096	0.835875	standard
5.81792	0.835867	standard
5.819	0.833814	standard
6.2115	0.65714	standard
6.21257	0.668895	standard
6.22479	1.00294	standard
6.22586	0.991405	standard
6.27373	0.835097	standard
6.28176	0.82699	standard
6.28702	0.552782	standard
6.29505	0.557352	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

Acrylamide

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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