Cytidine

Simulation outputs:

	Parameter	Value
	Field strength	600.13(MHz)
	RMSD of the fit	0.01235
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
	Note 1	Oscar Li

Sample description:

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

Show/Hide Spin System Matrix

Spin System Matrix

	18	19	20	21	22	23	24	25
18	6.024	7.395	0	0	0	0	0	0
19	0	7.855	0	0	0	0	0	0
20	0	0	3.929	-12.647	2.647	0	0	0
21	0	0	0	3.813	3.973	0	0	0
22	0	0	0	0	4.122	5.883	0	0
23	0	0	0	0	0	4.202	5.425	0
24	0	0	0	0	0	0	4.296	3.771
25	0	0	0	0	0	0	0	5.893

Spectra

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

PPM	Amplitude	Peak Type
3.79858	0.402187	standard
3.80517	0.412436	standard
3.81966	0.57781	standard
3.8262	0.602276	standard
3.91707	0.590771	standard
3.92142	0.616824	standard
3.93809	0.412995	standard
3.94254	0.428737	standard
4.11168	0.24713	standard
4.11609	0.27131	standard
4.11822	0.289757	standard
4.12159	0.410567	standard
4.12583	0.350555	standard
4.12795	0.343126	standard
4.13238	0.288778	standard
4.19251	0.515627	standard
4.20174	0.851116	standard
4.21131	0.488222	standard
4.28881	0.554094	standard
4.29508	0.596494	standard
4.29775	0.51136	standard
4.30407	0.459902	standard
5.89028	0.999997	standard
5.89652	1.00001	standard
6.01753	0.983958	standard
6.02993	0.983938	standard
7.84881	0.983934	standard
7.8611	0.983934	standard
3.48813	0.0123241	standard
3.52344	0.0147752	standard
3.58364	0.0178421	standard
3.7974	0.22909	standard
3.85491	0.693715	standard
3.89327	0.998499	standard
3.98707	0.189634	standard
4.01917	0.189461	standard
4.10129	0.385757	standard
4.21856	1.0	standard
4.29514	0.436273	standard
4.45465	0.042421	standard
5.85298	0.431282	standard
5.92753	0.830738	standard
6.01797	0.0596711	standard
6.11154	0.630084	standard
7.76718	0.624511	standard
7.95205	0.514728	standard
3.60998	0.02633	standard
3.64261	0.027823	standard
3.67255	0.035012	standard
3.82096	0.358518	standard
3.84062	0.320104	standard
3.88255	1.0	standard
3.95282	0.0864005	standard
3.97877	0.072585	standard
4.00213	0.0962356	standard
4.02602	0.0897431	standard
4.03521	0.091568	standard
4.11212	0.421571	standard
4.14889	0.385956	standard
4.1649	0.391229	standard
4.20174	0.901349	standard
4.23639	0.520352	standard
4.2921	0.509925	standard
4.34319	0.12042	standard
4.39423	0.0723071	standard
5.8075	0.0347431	standard
5.86491	0.523942	standard
5.92333	0.514722	standard
5.95988	0.653899	standard
6.08328	0.697637	standard
7.79535	0.694159	standard
7.91863	0.612218	standard
3.6707	0.0430002	standard
3.68686	0.032826	standard
3.6989	0.0346695	standard
3.71517	0.0553419	standard
3.76302	0.018845	standard
3.82728	0.418173	standard
3.87333	1.0	standard
3.90364	0.573227	standard
3.96077	0.0420332	standard
3.9796	0.0302721	standard
4.03655	0.13822	standard
4.05328	0.14805	standard
4.10219	0.21349	standard
4.11263	0.275331	standard
4.14418	0.501116	standard
4.15584	0.415744	standard
4.20212	0.709903	standard
4.25019	0.430763	standard
4.26581	0.40243	standard
4.29341	0.382477	standard
4.3384	0.090315	standard
4.35103	0.106149	standard
4.36558	0.101815	standard
5.81425	0.0226791	standard
5.87171	0.573936	standard
5.91564	0.553001	standard
5.97635	0.658028	standard
6.0688	0.700852	standard
7.80993	0.698565	standard
7.90236	0.638559	standard
3.68838	0.0699433	standard
3.72873	0.085645	standard
3.76446	0.0213171	standard
3.82854	0.565569	standard
3.87074	1.0	standard
3.90426	0.728264	standard
3.9573	0.0449103	standard
3.98862	0.0284911	standard
4.01807	0.0950608	standard
4.04521	0.230751	standard
4.11335	0.33477	standard
4.14411	0.624878	standard
4.15154	0.64705	standard
4.18074	0.325389	standard
4.20201	0.877819	standard
4.25479	0.692879	standard
4.29357	0.47365	standard
4.34647	0.151665	standard
4.35635	0.149825	standard
5.81573	0.0229144	standard
5.87413	0.7731	standard
5.91309	0.749627	standard
5.98171	0.847237	standard
6.06394	0.90077	standard
7.81479	0.898323	standard
7.89691	0.834215	standard
3.70294	0.0939728	standard
3.73934	0.111696	standard
3.76337	0.0226241	standard
3.82923	0.646717	standard
3.86582	0.935269	standard
3.8803	0.772766	standard
3.90483	0.808911	standard
3.95569	0.0415888	standard
4.00678	0.119082	standard
4.03129	0.158124	standard
4.05472	0.155748	standard
4.05957	0.158682	standard
4.08714	0.149791	standard
4.11396	0.363553	standard
4.14095	0.554062	standard
4.15224	0.741016	standard
4.17487	0.339116	standard
4.20194	0.938671	standard
4.25656	0.827645	standard
4.29378	0.518823	standard
4.3426	0.18667	standard
4.3491	0.187227	standard
5.81638	0.019956	standard
5.87604	0.892229	standard
5.91112	0.869167	standard
5.98598	0.943053	standard
6.05998	1.0	standard
7.81875	0.997702	standard
7.89264	0.934269	standard
3.76394	0.244279	standard
3.78284	0.268684	standard
3.82703	0.68237	standard
3.84614	0.782242	standard
3.89876	0.703628	standard
3.91148	0.794856	standard
3.96182	0.253639	standard
3.97476	0.282705	standard
4.08971	0.214443	standard
4.10303	0.210006	standard
4.1088	0.221092	standard
4.11869	0.435647	standard
4.13166	0.407941	standard
4.13713	0.403413	standard
4.15015	0.319326	standard
4.1752	0.544151	standard
4.20156	0.873403	standard
4.23006	0.480097	standard
4.27586	0.604528	standard
4.29435	0.629053	standard
4.3016	0.403423	standard
4.32047	0.35971	standard
5.88423	0.999731	standard
5.90266	1.00001	standard
6.00503	0.985317	standard
6.04203	0.992708	standard
7.83661	0.991982	standard
7.8736	0.984026	standard
3.782	0.317333	standard
3.79493	0.341078	standard
3.8241	0.640794	standard
3.83711	0.699303	standard
3.90706	0.656634	standard
3.91575	0.713847	standard
3.94919	0.325212	standard
3.95793	0.35013	standard
4.10076	0.229285	standard
4.10963	0.241593	standard
4.11367	0.255154	standard
4.12034	0.424895	standard
4.12899	0.383334	standard
4.133	0.376057	standard
4.14181	0.308459	standard
4.18358	0.533262	standard
4.20164	0.863179	standard
4.22079	0.48307	standard
4.28192	0.590087	standard
4.29443	0.622122	standard
4.29966	0.457906	standard
4.31219	0.410855	standard
5.88718	0.999228	standard
5.89964	1.00051	standard
6.01138	0.985238	standard
6.03598	0.985079	standard
7.84266	0.984686	standard
7.86735	0.984686	standard
3.79045	0.35925	standard
3.80026	0.380602	standard
3.82209	0.611319	standard
3.8319	0.652317	standard
3.91187	0.625909	standard
3.91839	0.667255	standard
3.94346	0.368204	standard
3.95003	0.388952	standard
4.10623	0.237965	standard
4.11285	0.257776	standard
4.116	0.273366	standard
4.121	0.418012	standard
4.1275	0.371623	standard
4.13054	0.36343	standard
4.13723	0.29995	standard
4.18799	0.525785	standard
4.20168	0.858697	standard
4.21605	0.485866	standard
4.28526	0.574014	standard
4.2947	0.611492	standard
4.29866	0.48757	standard
4.30808	0.437801	standard
5.88871	1.00038	standard
5.89808	1.00042	standard
6.01445	0.985385	standard
6.0329	0.985319	standard
7.84573	0.985115	standard
7.86418	0.985115	standard
3.79539	0.384927	standard
3.80327	0.404099	standard
3.82068	0.590434	standard
3.82858	0.62206	standard
3.91491	0.603704	standard
3.92017	0.635284	standard
3.94018	0.394713	standard
3.94547	0.412219	standard
4.10945	0.242833	standard
4.11486	0.269499	standard
4.11734	0.28484	standard
4.12142	0.416764	standard
4.12654	0.36244	standard
4.129	0.352546	standard
4.13431	0.293277	standard
4.1907	0.519635	standard
4.20172	0.854171	standard
4.21321	0.487478	standard
4.28738	0.562007	standard
4.29494	0.602142	standard
4.29813	0.502212	standard
4.3057	0.449786	standard
5.88963	0.998063	standard
5.89711	1.00001	standard
6.01634	0.983975	standard
6.03112	0.983941	standard
7.84762	0.983808	standard
7.86239	0.983808	standard
3.79858	0.402168	standard
3.80517	0.412419	standard
3.81966	0.577826	standard
3.8262	0.602297	standard
3.91707	0.590792	standard
3.92142	0.616852	standard
3.93809	0.412979	standard
3.94254	0.428723	standard
4.11163	0.246171	standard
4.11609	0.271121	standard
4.11822	0.28971	standard
4.12159	0.410589	standard
4.12583	0.350583	standard
4.12795	0.343152	standard
4.13238	0.288788	standard
4.19251	0.515628	standard
4.20174	0.851136	standard
4.21133	0.48885	standard
4.28881	0.554104	standard
4.29508	0.596508	standard
4.29775	0.511338	standard
4.30408	0.46038	standard
5.89028	0.999997	standard
5.89652	1.00001	standard
6.01753	0.983951	standard
6.02993	0.983932	standard
7.84881	0.983928	standard
7.8611	0.983928	standard
3.80082	0.424339	standard
3.80646	0.425323	standard
3.81887	0.573148	standard
3.82452	0.578252	standard
3.91865	0.591136	standard
3.92241	0.602858	standard
3.93671	0.435685	standard
3.94046	0.437941	standard
4.11316	0.245201	standard
4.11702	0.280661	standard
4.11881	0.295631	standard
4.12174	0.401534	standard
4.12538	0.353443	standard
4.12719	0.346115	standard
4.13099	0.295334	standard
4.19383	0.512532	standard
4.20175	0.845893	standard
4.20995	0.491103	standard
4.2898	0.547549	standard
4.29523	0.589762	standard
4.29751	0.519881	standard
4.30294	0.465385	standard
5.89067	1.00001	standard
5.8961	0.997212	standard
6.01842	0.984534	standard
6.02903	0.984522	standard
7.8497	0.984558	standard
7.86021	0.984558	standard
3.80171	0.429333	standard
3.80696	0.430389	standard
3.81857	0.573542	standard
3.82382	0.572911	standard
3.91925	0.584897	standard
3.92281	0.586437	standard
3.93611	0.439973	standard
3.93967	0.438189	standard
4.11381	0.241347	standard
4.11736	0.281624	standard
4.11909	0.297193	standard
4.1218	0.404326	standard
4.12518	0.349343	standard
4.12689	0.337535	standard
4.1304	0.293465	standard
4.19439	0.513403	standard
4.20178	0.841323	standard
4.2094	0.489753	standard
4.29025	0.542672	standard
4.29528	0.589533	standard
4.29741	0.522134	standard
4.30249	0.469659	standard
5.89087	1.0	standard
5.89592	1.00001	standard
6.01882	0.984547	standard
6.02864	0.984537	standard
7.85	0.984363	standard
7.85991	0.984363	standard
3.8025	0.433437	standard
3.80741	0.432389	standard
3.81827	0.568666	standard
3.82323	0.567937	standard
3.91984	0.581085	standard
3.9231	0.58252	standard
3.93561	0.443818	standard
3.93897	0.442129	standard
4.11435	0.243815	standard
4.11766	0.282721	standard
4.11929	0.298047	standard
4.12183	0.403351	standard
4.12497	0.347667	standard
4.1266	0.335053	standard
4.1299	0.291346	standard
4.19479	0.510832	standard
4.20181	0.872632	standard
4.20896	0.491667	standard
4.2906	0.542226	standard
4.29533	0.585065	standard
4.29731	0.524708	standard
4.3021	0.471533	standard
5.89107	1.00001	standard
5.89572	1.00001	standard
6.01912	0.983814	standard
6.02834	0.983806	standard
7.85029	0.983751	standard
7.85952	0.983751	standard
3.80369	0.44065	standard
3.80815	0.441899	standard
3.81778	0.562017	standard
3.82214	0.561156	standard
3.92078	0.570196	standard
3.9237	0.575106	standard
3.93482	0.45181	standard
3.93778	0.450276	standard
4.11524	0.246399	standard
4.1182	0.286899	standard
4.11958	0.302132	standard
4.12192	0.40252	standard
4.12467	0.346463	standard
4.12611	0.332777	standard
4.12911	0.28805	standard
4.19558	0.510791	standard
4.2018	0.858809	standard
4.20817	0.49273	standard
4.29119	0.538744	standard
4.29537	0.58151	standard
4.29722	0.524891	standard
4.3014	0.476017	standard
5.89127	1.00001	standard
5.89548	0.993617	standard
6.01961	0.984472	standard
6.02784	0.984467	standard
7.85079	0.984423	standard
7.85902	0.984423	standard
3.80429	0.443873	standard
3.80845	0.445135	standard
3.81758	0.558627	standard
3.82174	0.557705	standard
3.92123	0.570378	standard
3.924	0.571649	standard
3.93452	0.45537	standard
3.93729	0.453905	standard
4.11564	0.247313	standard
4.11845	0.288538	standard
4.11978	0.303879	standard
4.1219	0.39572	standard
4.12458	0.345932	standard
4.12591	0.332893	standard
4.12871	0.287344	standard
4.1959	0.507375	standard
4.2018	0.846379	standard
4.20777	0.493139	standard
4.29149	0.53699	standard
4.29547	0.585079	standard
4.29712	0.532161	standard
4.30111	0.477589	standard
5.89137	1.00001	standard
5.89533	1.00001	standard
6.01981	0.984156	standard
6.02764	0.984151	standard
7.85109	0.984255	standard
7.85882	0.984255	standard
3.80473	0.443071	standard
3.8087	0.444364	standard
3.81738	0.555787	standard
3.82134	0.554822	standard
3.92153	0.566848	standard
3.9242	0.568083	standard
3.93422	0.459041	standard
3.93679	0.457654	standard
4.11594	0.247892	standard
4.11864	0.290972	standard
4.11988	0.305988	standard
4.12188	0.38851	standard
4.12239	0.369848	standard
4.12448	0.346165	standard
4.12571	0.333294	standard
4.12842	0.285875	standard
4.19617	0.509378	standard
4.20179	0.833818	standard
4.20748	0.493439	standard
4.29169	0.535324	standard
4.29547	0.579168	standard
4.29712	0.528265	standard
4.30091	0.478848	standard
5.89146	1.00001	standard
5.89523	1.00001	standard
6.02001	0.984163	standard
6.02745	0.984158	standard
7.85129	0.984275	standard
7.85862	0.984275	standard
3.80558	0.451852	standard
3.80914	0.453163	standard
3.81708	0.55146	standard
3.82065	0.550439	standard
3.92222	0.563233	standard
3.92459	0.564384	standard
3.93373	0.463642	standard
3.9361	0.462325	standard
4.11653	0.250142	standard
4.11894	0.291784	standard
4.12008	0.305254	standard
4.12199	0.392082	standard
4.12234	0.377478	standard
4.12428	0.344583	standard
4.12542	0.331022	standard
4.12782	0.284914	standard
4.19675	0.507128	standard
4.20178	0.862929	standard
4.20698	0.494013	standard
4.29208	0.532787	standard
4.29557	0.579923	standard
4.29702	0.534304	standard
4.30041	0.482217	standard
5.89166	1.00001	standard
5.89513	1.00001	standard
6.0204	0.984725	standard
6.02715	0.984722	standard
7.85158	0.984693	standard
7.85833	0.984693	standard
3.80677	0.458612	standard
3.80984	0.460033	standard
3.81649	0.543208	standard
3.81956	0.54204	standard
3.92321	0.555808	standard
3.92519	0.556857	standard
3.93293	0.471439	standard
3.93491	0.47025	standard
4.11742	0.252598	standard
4.11942	0.289585	standard
4.12048	0.304799	standard
4.12212	0.4162	standard
4.12398	0.341519	standard
4.12492	0.328242	standard
4.12703	0.280827	standard
4.19746	0.506939	standard
4.20177	0.822954	standard
4.20619	0.494413	standard
4.29273	0.521227	standard
4.29567	0.573988	standard
4.29693	0.535078	standard
4.29982	0.485382	standard
5.89196	1.00001	standard
5.89483	1.00001	standard
6.0209	0.983968	standard
6.02655	0.983966	standard
7.85208	0.98375	standard
7.85783	0.98375	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

Cytidine

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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