2'-Deoxyguanosine 5'-monophosphate

Simulation outputs:

	Parameter	Value
	Field strength	600.13(MHz)
	RMSD of the fit	0.01613
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
	Note 1	Oscar Li

Sample description:

Compound	Type	Concentration
2'-Deoxyguanosine 5'-monophosphate	Solute	Saturatedn/a
D2O	Solvent	100%
sodium phosphate	Buffer	50mM
sodium azide	Cytocide	500uM
DSS	Reference	0.1%

Show/Hide Spin System Matrix

Spin System Matrix

	24	25	26	27	28	29	30	31
24	2.53	-13.554	0	0	0	3.588	0	6.594
25	0	2.763	0	0	0	6.183	0	7.338
26	0	0	3.959	-12.4	0	0	2.292	0
27	0	0	0	3.959	0	0	2.296	0
28	0	0	0	0	8.129	0	0	0
29	0	0	0	0	0	4.704	3.299	0
30	0	0	0	0	0	0	4.224	0
31	0	0	0	0	0	0	0	6.246

Spectra

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

PPM	Amplitude	Peak Type
2.50961	0.107494	standard
2.51552	0.12108	standard
2.52048	0.12383	standard
2.5265	0.125	standard
2.53213	0.144009	standard
2.53812	0.148268	standard
2.54296	0.145792	standard
2.54898	0.129221	standard
2.74084	0.120221	standard
2.75206	0.1923	standard
2.76332	0.215329	standard
2.77457	0.160407	standard
2.78581	0.0997312	standard
3.95753	0.991997	standard
3.96085	1.00031	standard
4.22241	0.349652	standard
4.2266	0.35094	standard
4.69353	0.137199	standard
4.69911	0.24973	standard
4.70409	0.250531	standard
4.70921	0.248679	standard
4.71478	0.137058	standard
6.23418	0.214707	standard
6.24571	0.378777	standard
6.25733	0.21449	standard
8.12851	0.799737	standard
2.13136	0.0186491	standard
2.23868	0.0313201	standard
2.30523	0.0345461	standard
2.47243	0.224579	standard
2.52612	0.265057	standard
2.57247	0.283366	standard
2.65293	0.406603	standard
2.73451	0.296113	standard
2.8334	0.22405	standard
2.99745	0.0421841	standard
3.17217	0.033962	standard
3.93789	0.780073	standard
3.98181	1.0	standard
4.13691	0.24773	standard
4.20599	0.344835	standard
4.2594	0.320947	standard
4.55269	0.159149	standard
4.65962	0.237212	standard
4.76897	0.19849	standard
4.86875	0.099689	standard
6.07647	0.207482	standard
6.2499	0.361971	standard
6.42341	0.1739	standard
8.12851	0.705275	standard
2.28093	0.0324612	standard
2.34823	0.04563	standard
2.39331	0.0482113	standard
2.50626	0.194728	standard
2.58178	0.342554	standard
2.61402	0.28291	standard
2.68601	0.431737	standard
2.80157	0.207203	standard
2.91076	0.0595981	standard
3.02642	0.0443743	standard
3.94288	0.845166	standard
3.97497	1.0	standard
4.20988	0.340853	standard
4.24767	0.327032	standard
4.60092	0.146866	standard
4.66381	0.236962	standard
4.69324	0.21577	standard
4.75278	0.21472	standard
4.81321	0.111019	standard
6.13184	0.210374	standard
6.24756	0.372711	standard
6.36331	0.186814	standard
8.12851	0.737726	standard
2.35139	0.045202	standard
2.40005	0.0584974	standard
2.43457	0.0607954	standard
2.52037	0.183168	standard
2.56953	0.210303	standard
2.61898	0.276884	standard
2.65072	0.237503	standard
2.70188	0.270523	standard
2.78704	0.205479	standard
2.86921	0.0762923	standard
2.95545	0.053095	standard
3.94675	0.881438	standard
3.97124	1.0	standard
4.21231	0.340971	standard
4.24166	0.330915	standard
4.62598	0.142947	standard
4.67109	0.239481	standard
4.70088	0.219502	standard
4.74151	0.223962	standard
4.78554	0.11665	standard
6.1599	0.206946	standard
6.24674	0.375401	standard
6.33359	0.197909	standard
8.12851	0.753462	standard
2.37393	0.05182	standard
2.41657	0.064671	standard
2.4476	0.066931	standard
2.49372	0.088235	standard
2.5241	0.1825	standard
2.56701	0.200823	standard
2.59836	0.215032	standard
2.63787	0.319646	standard
2.70775	0.256613	standard
2.78259	0.204334	standard
2.85586	0.083497	standard
2.93224	0.057468	standard
3.94812	0.893954	standard
3.96995	1.0	standard
4.21326	0.341304	standard
4.23965	0.332685	standard
4.63446	0.141711	standard
4.67408	0.241232	standard
4.7029	0.224251	standard
4.73754	0.228722	standard
4.77637	0.119688	standard
6.16935	0.205948	standard
6.24652	0.375445	standard
6.32374	0.201521	standard
8.12851	0.75866	standard
2.39156	0.0566331	standard
2.42953	0.0694272	standard
2.45768	0.0717116	standard
2.49798	0.0902041	standard
2.52673	0.178819	standard
2.56489	0.194039	standard
2.59297	0.200054	standard
2.63479	0.236975	standard
2.71211	0.249675	standard
2.77925	0.205803	standard
2.84557	0.090686	standard
2.91392	0.0610963	standard
3.94917	0.904156	standard
3.96893	1.0	standard
4.21411	0.341913	standard
4.23808	0.334489	standard
4.6413	0.141303	standard
4.67663	0.243285	standard
4.70379	0.228881	standard
4.7343	0.231936	standard
4.76903	0.121436	standard
6.17688	0.206898	standard
6.24637	0.375806	standard
6.31587	0.202901	standard
8.12851	0.763133	standard
2.46567	0.0839091	standard
2.48387	0.0969081	standard
2.4983	0.099456	standard
2.51701	0.106979	standard
2.53319	0.160056	standard
2.55153	0.16737	standard
2.56603	0.166504	standard
2.5841	0.147236	standard
2.70003	0.138851	standard
2.73368	0.218733	standard
2.76728	0.209324	standard
2.801	0.127906	standard
2.8348	0.079872	standard
3.95419	0.951612	standard
3.96414	1.00001	standard
4.2187	0.345652	standard
4.23106	0.342267	standard
4.67243	0.137247	standard
4.6895	0.244355	standard
4.70426	0.241941	standard
4.71938	0.243306	standard
4.73631	0.130749	standard
6.21112	0.210044	standard
6.2459	0.376835	standard
6.28059	0.210114	standard
8.12851	0.782842	standard
2.48818	0.095089	standard
2.50024	0.108393	standard
2.50993	0.111066	standard
2.52226	0.115239	standard
2.53325	0.152065	standard
2.54531	0.157663	standard
2.5551	0.155964	standard
2.56704	0.138417	standard
2.71984	0.129233	standard
2.74237	0.205582	standard
2.76482	0.212019	standard
2.78734	0.144469	standard
2.80987	0.0891435	standard
3.95588	0.966929	standard
3.96255	1.00006	standard
4.22049	0.350532	standard
4.22878	0.341928	standard
4.68294	0.136243	standard
4.69421	0.246677	standard
4.70423	0.247094	standard
4.71424	0.245921	standard
4.72556	0.133858	standard
6.2226	0.211978	standard
6.24576	0.378782	standard
6.26891	0.211979	standard
8.12851	0.789974	standard
2.49904	0.10086	standard
2.50803	0.114465	standard
2.5153	0.117145	standard
2.52447	0.119489	standard
2.53284	0.147622	standard
2.54181	0.152396	standard
2.54918	0.150219	standard
2.55816	0.133463	standard
2.73024	0.124366	standard
2.74706	0.200627	standard
2.76395	0.213056	standard
2.78085	0.152894	standard
2.79769	0.0940299	standard
3.95671	0.975238	standard
3.96169	1.0	standard
4.22145	0.350181	standard
4.22765	0.344834	standard
4.68818	0.135491	standard
4.69664	0.246914	standard
4.70415	0.247034	standard
4.71173	0.247367	standard
4.72012	0.13574	standard
6.22834	0.212525	standard
6.24576	0.379893	standard
6.26307	0.212669	standard
8.12851	0.792302	standard
2.50536	0.104851	standard
2.51257	0.118616	standard
2.51844	0.121397	standard
2.52573	0.123089	standard
2.53243	0.145839	standard
2.53961	0.149996	standard
2.54553	0.147845	standard
2.55263	0.131601	standard
2.73648	0.122036	standard
2.75002	0.197883	standard
2.76356	0.214851	standard
2.77704	0.157072	standard
2.79056	0.0976046	standard
3.95721	0.98974	standard
3.9612	1.0	standard
4.22201	0.348522	standard
4.22707	0.348979	standard
4.69139	0.13694	standard
4.69808	0.248826	standard
4.70415	0.248879	standard
4.71022	0.248825	standard
4.71691	0.136937	standard
6.2318	0.214259	standard
6.24571	0.380581	standard
6.25961	0.21426	standard
8.12851	0.798559	standard
2.50961	0.107416	standard
2.51552	0.120999	standard
2.52048	0.123745	standard
2.5265	0.124916	standard
2.53213	0.143914	standard
2.53812	0.148174	standard
2.54296	0.145697	standard
2.54898	0.129132	standard
2.74084	0.120135	standard
2.75206	0.192177	standard
2.76332	0.215169	standard
2.77457	0.160298	standard
2.78581	0.0996562	standard
3.95753	0.991488	standard
3.96085	1.00031	standard
4.22242	0.349536	standard
4.2266	0.351341	standard
4.69348	0.136551	standard
4.69911	0.249387	standard
4.70409	0.250339	standard
4.70921	0.2485	standard
4.71478	0.136964	standard
6.23418	0.214548	standard
6.24571	0.378509	standard
6.25733	0.214331	standard
8.12851	0.799122	standard
2.51257	0.109293	standard
2.5177	0.123511	standard
2.52187	0.126224	standard
2.5271	0.12704	standard
2.53182	0.14326	standard
2.53702	0.146836	standard
2.54118	0.144552	standard
2.54632	0.128294	standard
2.74391	0.11913	standard
2.75353	0.195022	standard
2.76317	0.216025	standard
2.77285	0.163653	standard
2.78254	0.101414	standard
3.95779	1.0002	standard
3.96063	1.0002	standard
4.22274	0.350043	standard
4.22628	0.35221	standard
4.69498	0.136907	standard
4.69984	0.250918	standard
4.70409	0.252373	standard
4.70848	0.250072	standard
4.71322	0.137916	standard
6.23576	0.21536	standard
6.24571	0.380993	standard
6.25565	0.21536	standard
8.12851	0.8028	standard
2.51375	0.109753	standard
2.51849	0.123932	standard
2.52236	0.126293	standard
2.52729	0.126759	standard
2.53173	0.142197	standard
2.53651	0.145186	standard
2.5405	0.142835	standard
2.54523	0.127374	standard
2.7451	0.117983	standard
2.75413	0.189079	standard
2.76312	0.215408	standard
2.77211	0.16353	standard
2.78115	0.101586	standard
3.95788	0.999253	standard
3.9605	1.00001	standard
4.22285	0.350935	standard
4.22618	0.347996	standard
4.69555	0.135982	standard
4.70013	0.249655	standard
4.70409	0.249539	standard
4.70818	0.248731	standard
4.71264	0.137041	standard
6.23645	0.214446	standard
6.24576	0.381108	standard
6.25496	0.214719	standard
8.12851	0.799575	standard
2.51474	0.10971	standard
2.51929	0.124416	standard
2.52286	0.127039	standard
2.52749	0.127213	standard
2.53162	0.141713	standard
2.53612	0.144805	standard
2.53981	0.142447	standard
2.54424	0.126748	standard
2.74619	0.117298	standard
2.75468	0.188112	standard
2.76307	0.215	standard
2.77153	0.167729	standard
2.77996	0.102002	standard
3.95797	0.999219	standard
3.96041	1.0	standard
4.22296	0.348638	standard
4.22606	0.351756	standard
4.69615	0.137032	standard
4.70031	0.247869	standard
4.70416	0.250207	standard
4.70788	0.248836	standard
4.71217	0.135895	standard
6.23705	0.214386	standard
6.24571	0.38302	standard
6.25437	0.214386	standard
8.12851	0.798689	standard
2.51652	0.112176	standard
2.52047	0.126846	standard
2.52366	0.129143	standard
2.52778	0.129256	standard
2.53142	0.141872	standard
2.53553	0.145289	standard
2.53872	0.143373	standard
2.54267	0.127068	standard
2.74797	0.117374	standard
2.75556	0.19003	standard
2.76302	0.217176	standard
2.77054	0.172399	standard
2.77808	0.103676	standard
3.95809	1.00042	standard
3.96034	1.00042	standard
4.2231	0.349817	standard
4.22587	0.355554	standard
4.69702	0.137979	standard
4.70075	0.25193	standard
4.7041	0.252935	standard
4.70745	0.25193	standard
4.71119	0.137978	standard
6.23794	0.216114	standard
6.24571	0.379178	standard
6.25348	0.216114	standard
8.12851	0.806026	standard
2.51721	0.11145	standard
2.52096	0.125524	standard
2.52406	0.1282	standard
2.52787	0.128193	standard
2.53143	0.140188	standard
2.53522	0.143329	standard
2.53833	0.14097	standard
2.54207	0.125425	standard
2.74876	0.116091	standard
2.75591	0.18933	standard
2.76302	0.215246	standard
2.77014	0.168875	standard
2.77719	0.103362	standard
3.95819	1.00039	standard
3.96024	1.00039	standard
4.22317	0.347511	standard
4.2258	0.353421	standard
4.69741	0.136855	standard
4.70095	0.250033	standard
4.7041	0.249858	standard
4.70725	0.250033	standard
4.7108	0.136855	standard
6.23843	0.214561	standard
6.24571	0.387321	standard
6.25298	0.214561	standard
8.12851	0.799127	standard
2.5178	0.112771	standard
2.52146	0.127601	standard
2.52436	0.130701	standard
2.52797	0.130501	standard
2.53133	0.142043	standard
2.53492	0.145308	standard
2.53783	0.142463	standard
2.54149	0.126163	standard
2.74946	0.117441	standard
2.75621	0.188258	standard
2.76297	0.217842	standard
2.76974	0.16881	standard
2.7765	0.104964	standard
3.95816	1.00069	standard
3.96024	0.999595	standard
4.22326	0.356373	standard
4.22571	0.355512	standard
4.6977	0.138639	standard
4.70104	0.250798	standard
4.70416	0.253501	standard
4.70716	0.252519	standard
4.71051	0.13887	standard
6.23873	0.217195	standard
6.24571	0.38975	standard
6.25268	0.217196	standard
8.12851	0.809948	standard
2.51899	0.113561	standard
2.52213	0.127275	standard
2.52486	0.129505	standard
2.52817	0.12958	standard
2.53123	0.140058	standard
2.53453	0.143603	standard
2.53714	0.141261	standard
2.5404	0.125068	standard
2.75065	0.115826	standard
2.75679	0.190981	standard
2.76293	0.216351	standard
2.7691	0.167801	standard
2.77521	0.104719	standard
3.95831	1.00003	standard
3.96011	1.00003	standard
4.22341	0.353727	standard
4.22566	0.353727	standard
4.69828	0.137423	standard
4.70133	0.249161	standard
4.7041	0.253343	standard
4.70687	0.249161	standard
4.70992	0.137423	standard
6.23942	0.215681	standard
6.24571	0.381374	standard
6.25199	0.215681	standard
8.12851	0.803232	standard
2.52066	0.114139	standard
2.52343	0.12896	standard
2.52565	0.131597	standard
2.52846	0.131003	standard
2.53103	0.139805	standard
2.53383	0.142781	standard
2.53605	0.140373	standard
2.53882	0.124429	standard
2.75253	0.115309	standard
2.75774	0.186619	standard
2.76293	0.217128	standard
2.76811	0.171605	standard
2.77333	0.105762	standard
3.95843	1.00014	standard
3.95999	1.00014	standard
4.22356	0.351153	standard
4.22546	0.356088	standard
4.69915	0.137117	standard
4.70177	0.25148	standard
4.7041	0.24986	standard
4.70643	0.25148	standard
4.70905	0.137117	standard
6.24031	0.215939	standard
6.24571	0.391448	standard
6.251	0.216413	standard
8.12851	0.805724	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

2'-Deoxyguanosine 5'-monophosphate

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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