5-Methyluridine

Simulation outputs:

	Parameter	Value
	Field strength	499.84(MHz)
	RMSD of the fit	0.01253
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,9-/m1/s1
	Note 1	26?27

Sample description:

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

Show/Hide Spin System Matrix

Spin System Matrix

	19	20	21	22	28	27	26	25	23	24
19	1.883	-14.9	-14.9	0	0	0	0	0	0	0
20	0	1.883	-14.9	0	0	0	0	0	0	0
21	0	0	1.883	0	0	0	0	0	0	0
22	0	0	0	7.696	0	0	0	0	0	0
28	0	0	0	0	5.908	4.946	0	0	0	0
27	0	0	0	0	0	4.334	5.269	0	0	0
26	0	0	0	0	0	0	4.237	5.523	0	0
25	0	0	0	0	0	0	0	4.109	4.195	2.987
23	0	0	0	0	0	0	0	0	3.813	-12.807
24	0	0	0	0	0	0	0	0	0	3.909

Spectra

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

PPM	Amplitude	Peak Type
1.88255	1.0	standard
3.79418	0.0857189	standard
3.80249	0.0905761	standard
3.81976	0.14382	standard
3.82813	0.151687	standard
3.89496	0.147528	standard
3.90087	0.155951	standard
3.92055	0.0883912	standard
3.92646	0.0924211	standard
4.09602	0.0626491	standard
4.10229	0.0794318	standard
4.10441	0.0892879	standard
4.10693	0.0961731	standard
4.11043	0.0842871	standard
4.11306	0.0977586	standard
4.11511	0.090753	standard
4.12132	0.0663621	standard
4.22643	0.116369	standard
4.23713	0.224226	standard
4.24794	0.12148	standard
4.32408	0.131373	standard
4.33425	0.21883	standard
4.34449	0.106967	standard
5.90312	0.231946	standard
5.91298	0.232209	standard
7.69636	0.45457	standard
1.88255	1.0	standard
3.47662	0.00567313	standard
3.5276	0.00686813	standard
3.5767	0.00872112	standard
3.89011	0.464738	standard
3.97305	0.105539	standard
4.01248	0.094477	standard
4.08751	0.149384	standard
4.11112	0.13913	standard
4.15238	0.176513	standard
4.23879	0.436129	standard
4.34685	0.196431	standard
4.48922	0.0287731	standard
5.85404	0.168402	standard
5.91224	0.120875	standard
5.96808	0.141063	standard
7.69636	0.456319	standard
1.88255	1.0	standard
3.6014	0.00955912	standard
3.66622	0.013128	standard
3.81536	0.173009	standard
3.87946	0.424976	standard
3.96591	0.0363211	standard
4.00082	0.0558982	standard
4.09274	0.12322	standard
4.15431	0.175914	standard
4.23492	0.275092	standard
4.26486	0.184306	standard
4.29628	0.170778	standard
4.3178	0.141263	standard
4.34086	0.163331	standard
4.42023	0.045825	standard
5.81256	0.0190531	standard
5.87059	0.183599	standard
5.94754	0.166151	standard
6.00508	0.0167421	standard
7.69636	0.456426	standard
1.88255	1.0	standard
3.66233	0.015443	standard
3.70958	0.019823	standard
3.82074	0.18385	standard
3.86818	0.35431	standard
3.88819	0.283456	standard
3.96273	0.0173961	standard
4.03084	0.065824	standard
4.09351	0.108996	standard
4.13301	0.12064	standard
4.17634	0.151143	standard
4.23524	0.23359	standard
4.29247	0.211502	standard
4.34083	0.168896	standard
4.4021	0.058398	standard
5.82322	0.011563	standard
5.87976	0.199998	standard
5.93739	0.187932	standard
5.99397	0.0107481	standard
7.69636	0.457176	standard
1.88255	1.0	standard
3.68118	0.019199	standard
3.72379	0.0235954	standard
3.82235	0.184542	standard
3.86404	0.389926	standard
3.88926	0.264974	standard
3.96452	0.0129822	standard
4.00115	0.024802	standard
4.03614	0.0742676	standard
4.09454	0.108982	standard
4.13084	0.119819	standard
4.17866	0.144508	standard
4.23548	0.22401	standard
4.28757	0.24022	standard
4.34009	0.177277	standard
4.39491	0.0643983	standard
5.82535	0.00884512	standard
5.8829	0.209113	standard
5.93407	0.198143	standard
5.99164	0.008423	standard
7.69636	0.457266	standard
1.88255	1.0	standard
3.69617	0.022597	standard
3.73504	0.0273941	standard
3.82346	0.183989	standard
3.86278	0.42636	standard
3.88982	0.252938	standard
3.9895	0.0261794	standard
4.01839	0.0364154	standard
4.04564	0.0599967	standard
4.09611	0.109147	standard
4.12931	0.117989	standard
4.16757	0.0795744	standard
4.18544	0.122711	standard
4.23562	0.219511	standard
4.28884	0.23431	standard
4.3392	0.184245	standard
4.38884	0.0695984	standard
5.82645	0.00676913	standard
5.88529	0.217313	standard
5.93151	0.206742	standard
5.9905	0.00645513	standard
7.69636	0.457444	standard
1.88255	1.0	standard
3.76062	0.051065	standard
3.7811	0.0567687	standard
3.82456	0.170592	standard
3.84511	0.198957	standard
3.87913	0.178364	standard
3.89388	0.201094	standard
3.94307	0.0527009	standard
3.95785	0.0586514	standard
4.07681	0.061049	standard
4.09272	0.072123	standard
4.09779	0.0831303	standard
4.10361	0.103537	standard
4.1131	0.0760697	standard
4.11908	0.105827	standard
4.12343	0.10084	standard
4.13906	0.0701692	standard
4.21041	0.115728	standard
4.23664	0.221807	standard
4.26339	0.128953	standard
4.31065	0.150689	standard
4.33544	0.211728	standard
4.36084	0.0909266	standard
5.89599	0.231845	standard
5.92026	0.23212	standard
7.69636	0.456593	standard
1.88255	1.0	standard
3.77995	0.0681386	standard
3.79381	0.0738939	standard
3.8226	0.157709	standard
3.83646	0.173722	standard
3.88719	0.162437	standard
3.89707	0.177604	standard
3.92989	0.0702439	standard
3.93979	0.0754658	standard
4.08747	0.0618093	standard
4.09793	0.0759906	standard
4.1014	0.0861133	standard
4.1056	0.0993813	standard
4.11148	0.0808229	standard
4.11576	0.101418	standard
4.11904	0.0952563	standard
4.12941	0.0680041	standard
4.21925	0.115743	standard
4.23694	0.223794	standard
4.25492	0.124521	standard
4.3179	0.140594	standard
4.33467	0.216487	standard
4.35167	0.0997359	standard
5.89988	0.232389	standard
5.91625	0.232273	standard
7.69636	0.455411	standard
1.88255	1.0	standard
3.78902	0.0787607	standard
3.79942	0.0840739	standard
3.82101	0.149295	standard
3.8314	0.160179	standard
3.89189	0.153425	standard
3.89928	0.164329	standard
3.92393	0.081213	standard
3.93132	0.0857898	standard
4.09281	0.0623162	standard
4.10068	0.078491	standard
4.10325	0.0879525	standard
4.10648	0.0970984	standard
4.11089	0.0833368	standard
4.11407	0.0991617	standard
4.11664	0.0921851	standard
4.12436	0.0670564	standard
4.22373	0.115975	standard
4.23707	0.22393	standard
4.25058	0.122669	standard
4.3217	0.134957	standard
4.33436	0.217036	standard
4.34717	0.104257	standard
5.90191	0.23221	standard
5.91422	0.232171	standard
7.69636	0.454823	standard
1.88255	1.0	standard
3.79418	0.0857259	standard
3.80249	0.0905821	standard
3.81976	0.14381	standard
3.82813	0.151673	standard
3.89496	0.147515	standard
3.90087	0.155935	standard
3.92055	0.0883962	standard
3.92646	0.0924261	standard
4.09602	0.062646	standard
4.10229	0.0794183	standard
4.10441	0.089272	standard
4.10693	0.0961563	standard
4.11043	0.0842743	standard
4.11306	0.0977486	standard
4.11511	0.0907577	standard
4.1213	0.066388	standard
4.22643	0.116366	standard
4.23713	0.22422	standard
4.24794	0.121475	standard
4.32413	0.131558	standard
4.33425	0.218845	standard
4.34449	0.10697	standard
5.90312	0.231943	standard
5.91298	0.232206	standard
7.69636	0.45457	standard
1.88255	1.0	standard
3.79755	0.090608	standard
3.80448	0.0950253	standard
3.81887	0.139951	standard
3.8258	0.14625	standard
3.89704	0.143231	standard
3.90202	0.149876	standard
3.91841	0.093178	standard
3.92339	0.0968632	standard
4.0982	0.0629286	standard
4.10338	0.0803243	standard
4.10513	0.0896248	standard
4.1073	0.0948311	standard
4.11019	0.0855494	standard
4.11234	0.0966385	standard
4.11413	0.0891294	standard
4.11927	0.0660164	standard
4.22821	0.116546	standard
4.23717	0.223941	standard
4.24615	0.120843	standard
4.32571	0.129342	standard
4.33418	0.219976	standard
4.34271	0.108752	standard
5.90396	0.232184	standard
5.91214	0.231806	standard
7.69636	0.454429	standard
1.88255	1.0	standard
3.79983	0.0950706	standard
3.80587	0.0963683	standard
3.81818	0.137017	standard
3.82412	0.142149	standard
3.89863	0.14036	standard
3.90286	0.146076	standard
3.91697	0.0980871	standard
3.92121	0.100231	standard
4.09968	0.0629586	standard
4.10413	0.0793818	standard
4.10568	0.0890908	standard
4.10756	0.0940499	standard
4.10999	0.0859047	standard
4.1119	0.0967348	standard
4.11335	0.0895382	standard
4.11779	0.0668736	standard
4.2295	0.116698	standard
4.23717	0.22498	standard
4.24486	0.120405	standard
4.3269	0.127798	standard
4.33414	0.221002	standard
4.34147	0.110207	standard
5.90451	0.23147	standard
5.91159	0.231987	standard
7.69636	0.454251	standard
1.88255	1.0	standard
3.80082	0.0972969	standard
3.80636	0.0978095	standard
3.81788	0.135687	standard
3.82342	0.137989	standard
3.89932	0.141573	standard
3.90326	0.14454	standard
3.91638	0.100461	standard
3.92032	0.100761	standard
4.1003	0.0617618	standard
4.10452	0.081205	standard
4.10592	0.0905496	standard
4.10759	0.0923077	standard
4.10994	0.0879561	standard
4.11169	0.096808	standard
4.11306	0.0891484	standard
4.11719	0.0678136	standard
4.23	0.116748	standard
4.23717	0.225116	standard
4.24437	0.120156	standard
4.32735	0.12676	standard
4.33412	0.221952	standard
4.34098	0.110656	standard
5.90476	0.231934	standard
5.9113	0.231934	standard
7.69636	0.45394	standard
1.88255	1.0	standard
3.80161	0.0985199	standard
3.80681	0.0987748	standard
3.81758	0.136952	standard
3.82283	0.136612	standard
3.89986	0.139832	standard
3.90356	0.141874	standard
3.91588	0.101493	standard
3.91963	0.100848	standard
4.10087	0.0611154	standard
4.10475	0.0808284	standard
4.10614	0.0919206	standard
4.10764	0.0932072	standard
4.10983	0.08807	standard
4.11149	0.0964651	standard
4.11278	0.0887849	standard
4.1167	0.0674398	standard
4.23049	0.116886	standard
4.23716	0.22499	standard
4.24397	0.119947	standard
4.32775	0.12614	standard
4.33412	0.220865	standard
4.34048	0.11123	standard
5.90495	0.231894	standard
5.9111	0.231894	standard
7.69636	0.453899	standard
1.88255	1.0	standard
3.8029	0.100592	standard
3.80755	0.101147	standard
3.81718	0.135171	standard
3.82174	0.134795	standard
3.9008	0.137863	standard
3.90415	0.138346	standard
3.91509	0.103892	standard
3.91834	0.103299	standard
4.10176	0.0615103	standard
4.10516	0.0803285	standard
4.10642	0.089594	standard
4.10786	0.0921173	standard
4.10972	0.0890021	standard
4.11119	0.0961717	standard
4.11235	0.0879583	standard
4.11581	0.0671859	standard
4.23119	0.117022	standard
4.23716	0.223716	standard
4.24318	0.119836	standard
4.32844	0.125259	standard
4.3341	0.221118	standard
4.33979	0.11205	standard
5.90525	0.231907	standard
5.9108	0.231907	standard
7.69636	0.454223	standard
1.88255	1.0	standard
3.8035	0.101526	standard
3.80785	0.102085	standard
3.81698	0.134221	standard
3.82134	0.13383	standard
3.9012	0.137054	standard
3.90435	0.137527	standard
3.91469	0.104533	standard
3.91784	0.103952	standard
4.10216	0.0617649	standard
4.10536	0.0811739	standard
4.10651	0.0903143	standard
4.10785	0.0915175	standard
4.10973	0.0884436	standard
4.11108	0.09574	standard
4.11222	0.0875352	standard
4.11541	0.0672421	standard
4.23158	0.117174	standard
4.23718	0.22387	standard
4.24288	0.119743	standard
4.32869	0.125286	standard
4.33408	0.223111	standard
4.33949	0.112348	standard
5.90545	0.232089	standard
5.9106	0.232089	standard
7.69636	0.454205	standard
1.88255	1.0	standard
3.80399	0.102282	standard
3.80815	0.102856	standard
3.81679	0.133405	standard
3.82094	0.132992	standard
3.9016	0.136428	standard
3.90455	0.136888	standard
3.91439	0.10547	standard
3.91735	0.104909	standard
4.10246	0.0617276	standard
4.10556	0.0819429	standard
4.1066	0.0900389	standard
4.10797	0.0913941	standard
4.10961	0.088431	standard
4.11099	0.0953914	standard
4.11202	0.0880583	standard
4.11512	0.0669246	standard
4.23178	0.117023	standard
4.23722	0.226947	standard
4.24258	0.119724	standard
4.32898	0.125006	standard
4.33408	0.222355	standard
4.33919	0.11271	standard
5.90555	0.231969	standard
5.9105	0.231969	standard
7.69636	0.454197	standard
1.88255	1.0	standard
3.80478	0.103511	standard
3.80865	0.104106	standard
3.81649	0.132073	standard
3.82025	0.131636	standard
3.90229	0.135165	standard
3.90495	0.135605	standard
3.91389	0.106968	standard
3.91655	0.106437	standard
4.10305	0.0620603	standard
4.10584	0.0822339	standard
4.10681	0.0911843	standard
4.10795	0.0911288	standard
4.10963	0.0884654	standard
4.11078	0.0959072	standard
4.11173	0.087758	standard
4.11452	0.0667862	standard
4.23228	0.117106	standard
4.23722	0.226152	standard
4.24209	0.119588	standard
4.32948	0.124499	standard
4.33408	0.220687	standard
4.3387	0.113315	standard
5.90575	0.23185	standard
5.91031	0.23185	standard
7.69636	0.454184	standard
1.88255	1.0	standard
3.80607	0.105614	standard
3.80934	0.106231	standard
3.81594	0.128878	standard
3.81916	0.129411	standard
3.90328	0.132891	standard
3.90555	0.133311	standard
3.9131	0.109046	standard
3.91536	0.108547	standard
4.10394	0.0623498	standard
4.10633	0.0833214	standard
4.10708	0.0906358	standard
4.10817	0.0899335	standard
4.10953	0.0898347	standard
4.11049	0.0968574	standard
4.11124	0.0886708	standard
4.11363	0.0664163	standard
4.23307	0.117297	standard
4.23722	0.224285	standard
4.2414	0.119254	standard
4.33017	0.12368	standard
4.33403	0.224691	standard
4.338	0.113985	standard
5.90614	0.23207	standard
5.90991	0.23207	standard
7.69636	0.454167	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

5-Methyluridine

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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