Uridine

Simulation outputs:

	Parameter	Value
	Field strength	600.13(MHz)
	RMSD of the fit	0.01322
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
	Note 1
	Note 2	Oscar Li

Sample description:

Compound	Type	Concentration
Uridine	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	5.887	8.216	0	0	0	0	0	0
19	0	7.879	0	0	0	0	0	0
20	0	0	3.905	-12.753	2.702	0	0	0
21	0	0	0	3.802	4.396	0	0	0
22	0	0	0	0	4.125	5.19	0	0
23	0	0	0	0	0	4.222	5.617	0
24	0	0	0	0	0	0	4.344	4.165
25	0	0	0	0	0	0	0	5.908

Spectra

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

PPM	Amplitude	Peak Type
3.78675	0.384821	standard
3.79406	0.405248	standard
3.80802	0.576869	standard
3.81528	0.599395	standard
3.89363	0.622431	standard
3.89795	0.641252	standard
3.91485	0.425648	standard
3.91917	0.427416	standard
4.11455	0.279732	standard
4.11945	0.3691	standard
4.12264	0.532129	standard
4.12716	0.520278	standard
4.13007	0.409414	standard
4.13481	0.310541	standard
4.21305	0.504037	standard
4.22208	0.914205	standard
4.23096	0.493536	standard
4.33575	0.542327	standard
4.34293	0.680793	standard
4.34464	0.639129	standard
4.35196	0.471366	standard
5.87996	0.943977	standard
5.89365	0.967064	standard
5.90437	1.00007	standard
5.91128	0.984816	standard
7.87241	0.93708	standard
7.8861	0.93708	standard
3.57293	0.0263611	standard
3.88129	1.0	standard
4.10144	0.434548	standard
4.23881	0.925955	standard
4.34002	0.465354	standard
5.77934	0.465463	standard
5.86433	0.457638	standard
5.97906	0.687577	standard
7.78179	0.495301	standard
7.98712	0.407919	standard
3.59584	0.0286771	standard
3.65883	0.0376431	standard
3.86963	1.0	standard
4.10634	0.34905	standard
4.14827	0.506011	standard
4.22586	0.69487	standard
4.28446	0.498009	standard
4.34166	0.38309	standard
4.42122	0.123009	standard
5.81631	0.50612	standard
5.87773	0.533064	standard
5.94822	0.852861	standard
7.81313	0.523154	standard
7.95004	0.461074	standard
3.65397	0.0432082	standard
3.70141	0.053106	standard
3.81258	0.441088	standard
3.85953	0.972806	standard
4.01391	0.0838501	standard
4.04646	0.183187	standard
4.10693	0.311152	standard
4.1602	0.514821	standard
4.22531	0.571466	standard
4.28944	0.516505	standard
4.34484	0.386789	standard
4.40811	0.153534	standard
5.83437	0.526078	standard
5.88445	0.579171	standard
5.93478	1.0	standard
7.82919	0.534663	standard
7.9319	0.487553	standard
3.67289	0.0498711	standard
3.71517	0.0597575	standard
3.81358	0.419399	standard
3.857	0.947087	standard
3.88114	0.605856	standard
3.99692	0.0751521	standard
4.02675	0.089264	standard
4.05645	0.145167	standard
4.1088	0.298527	standard
4.16695	0.455662	standard
4.22482	0.520403	standard
4.27981	0.357742	standard
4.2975	0.385683	standard
4.34496	0.382004	standard
4.40115	0.161137	standard
5.84027	0.510633	standard
5.88672	0.56813	standard
5.93058	1.00001	standard
7.83464	0.514434	standard
7.92585	0.476352	standard
3.68764	0.057061	standard
3.72609	0.0675143	standard
3.81426	0.411833	standard
3.85612	0.874893	standard
3.88273	0.567887	standard
3.9856	0.076888	standard
4.01166	0.0814973	standard
4.06318	0.13971	standard
4.11056	0.29332	standard
4.14471	0.333733	standard
4.17227	0.445508	standard
4.22441	0.498086	standard
4.27332	0.311356	standard
4.30333	0.353601	standard
4.34455	0.384161	standard
4.39534	0.169548	standard
5.845	0.506013	standard
5.88857	0.567334	standard
5.9273	1.00001	standard
7.839	0.507848	standard
7.92109	0.474382	standard
3.75036	0.176036	standard
3.77141	0.19508	standard
3.81397	0.536248	standard
3.83519	0.619221	standard
3.87577	0.586399	standard
3.88891	0.644705	standard
3.93944	0.194514	standard
3.95264	0.201589	standard
4.09377	0.202165	standard
4.11831	0.408349	standard
4.1323	0.403958	standard
4.13905	0.358692	standard
4.15339	0.266568	standard
4.19566	0.410113	standard
4.22273	0.69314	standard
4.24862	0.382785	standard
4.32132	0.470756	standard
4.34232	0.548746	standard
4.36921	0.309491	standard
5.8661	0.735271	standard
5.89817	0.925803	standard
5.90698	1.00005	standard
5.91768	0.881152	standard
7.85893	0.725478	standard
7.89998	0.711353	standard
3.76939	0.157118	standard
3.78368	0.170324	standard
3.81184	0.340907	standard
3.82622	0.372498	standard
3.88383	0.367036	standard
3.89259	0.393852	standard
3.92631	0.171136	standard
3.93513	0.176987	standard
4.10417	0.142572	standard
4.12056	0.278848	standard
4.12968	0.274381	standard
4.13487	0.230282	standard
4.14442	0.170691	standard
4.20423	0.272037	standard
4.22234	0.478989	standard
4.23991	0.260534	standard
4.32828	0.305242	standard
4.34244	0.368987	standard
4.36052	0.230297	standard
5.87303	0.503906	standard
5.90068	1.0	standard
5.91464	0.541985	standard
7.86557	0.493908	standard
7.89304	0.493908	standard
3.77828	0.298287	standard
3.78914	0.318906	standard
3.81016	0.539542	standard
3.82102	0.57422	standard
3.88851	0.578437	standard
3.89504	0.610445	standard
3.92033	0.323775	standard
3.92693	0.333052	standard
4.1094	0.241831	standard
4.11673	0.311483	standard
4.12158	0.465675	standard
4.12843	0.455535	standard
4.13252	0.37221	standard
4.13961	0.276848	standard
4.20862	0.448075	standard
4.22219	0.800492	standard
4.23546	0.433206	standard
4.33195	0.492246	standard
4.34268	0.60921	standard
4.35625	0.399044	standard
5.87649	0.834481	standard
5.89719	0.980995	standard
5.90248	1.00002	standard
5.91294	0.879498	standard
7.86904	0.82332	standard
7.88957	0.82332	standard
3.78348	0.357187	standard
3.79217	0.378129	standard
3.80897	0.577117	standard
3.81765	0.605073	standard
3.89146	0.615653	standard
3.89675	0.643391	standard
3.91694	0.386285	standard
3.92224	0.395588	standard
4.11249	0.270196	standard
4.1184	0.351798	standard
4.12224	0.515492	standard
4.1276	0.508938	standard
4.13104	0.402704	standard
4.13677	0.300542	standard
4.21127	0.492696	standard
4.22213	0.887779	standard
4.23275	0.480419	standard
4.33422	0.535	standard
4.34283	0.669054	standard
4.34474	0.622394	standard
4.35369	0.451848	standard
5.87857	0.921442	standard
5.89506	0.970851	standard
5.90366	1.0	standard
5.91197	0.964207	standard
7.87103	0.912547	standard
7.88748	0.912547	standard
3.78675	0.384798	standard
3.79406	0.405229	standard
3.80802	0.576882	standard
3.81528	0.599413	standard
3.89363	0.622461	standard
3.89795	0.641285	standard
3.91485	0.425636	standard
3.91917	0.427403	standard
4.11455	0.279745	standard
4.11945	0.369119	standard
4.12264	0.532181	standard
4.12716	0.520333	standard
4.13007	0.409468	standard
4.13481	0.310562	standard
4.21305	0.504038	standard
4.22208	0.914204	standard
4.23096	0.493535	standard
4.33575	0.542336	standard
4.34293	0.680839	standard
4.34464	0.639184	standard
4.35196	0.471362	standard
5.87996	0.943956	standard
5.89365	0.967051	standard
5.90437	1.00007	standard
5.91128	0.984811	standard
7.87241	0.937056	standard
7.8861	0.937056	standard
3.78913	0.410879	standard
3.79535	0.415309	standard
3.80732	0.570581	standard
3.81359	0.578748	standard
3.8951	0.618	standard
3.89885	0.621432	standard
3.91335	0.442133	standard
3.9171	0.437799	standard
4.11603	0.275056	standard
4.12013	0.364572	standard
4.12299	0.521359	standard
4.12675	0.526401	standard
4.12931	0.405662	standard
4.13339	0.31483	standard
4.21434	0.50802	standard
4.22209	0.919841	standard
4.22968	0.499572	standard
4.33689	0.542756	standard
4.343	0.685536	standard
4.34448	0.649214	standard
4.35077	0.480759	standard
5.88095	0.952368	standard
5.89265	0.965279	standard
5.90487	1.00011	standard
5.91078	0.992092	standard
7.87341	0.94691	standard
7.88511	0.94691	standard
3.79002	0.417407	standard
3.79584	0.422066	standard
3.80702	0.578288	standard
3.8128	0.576105	standard
3.89579	0.615387	standard
3.89925	0.618676	standard
3.91274	0.447835	standard
3.91631	0.443596	standard
4.11661	0.276659	standard
4.12058	0.374274	standard
4.12307	0.524666	standard
4.12661	0.540765	standard
4.12906	0.409127	standard
4.1328	0.31587	standard
4.21483	0.509118	standard
4.22205	0.933269	standard
4.22918	0.500711	standard
4.33734	0.542496	standard
4.3431	0.693655	standard
4.34436	0.661754	standard
4.35028	0.484443	standard
5.88135	0.954665	standard
5.89226	0.964741	standard
5.90507	1.00012	standard
5.91059	0.994006	standard
7.8738	0.94977	standard
7.88471	0.94977	standard
3.79081	0.424092	standard
3.79624	0.428765	standard
3.80678	0.576505	standard
3.8122	0.573386	standard
3.89628	0.608537	standard
3.89966	0.611836	standard
3.91225	0.45647	standard
3.91552	0.452418	standard
4.11715	0.278835	standard
4.12082	0.375071	standard
4.1232	0.531079	standard
4.12652	0.537467	standard
4.12875	0.412737	standard
4.13231	0.315572	standard
4.21532	0.510806	standard
4.22204	0.934893	standard
4.22879	0.502367	standard
4.33773	0.543151	standard
4.34306	0.68076	standard
4.34447	0.647044	standard
4.34988	0.488378	standard
5.88165	0.957943	standard
5.89196	0.966127	standard
5.90521	1.00071	standard
5.91039	0.997371	standard
7.8741	0.95379	standard
7.88431	0.95379	standard
3.7921	0.431879	standard
3.79704	0.436909	standard
3.80628	0.568945	standard
3.81116	0.564294	standard
3.89727	0.605129	standard
3.90015	0.608142	standard
3.91145	0.466244	standard
3.91433	0.462533	standard
4.11799	0.28093	standard
4.12137	0.383203	standard
4.12331	0.529524	standard
4.12637	0.534359	standard
4.12832	0.411287	standard
4.13153	0.313088	standard
4.21602	0.510794	standard
4.22204	0.927649	standard
4.22799	0.503774	standard
4.33837	0.539861	standard
4.34317	0.692593	standard
4.34425	0.665012	standard
4.34919	0.491372	standard
5.88224	0.958822	standard
5.89136	0.964292	standard
5.90546	1.00013	standard
5.9101	0.996961	standard
7.87469	0.955173	standard
7.88382	0.955173	standard
3.79269	0.435552	standard
3.79733	0.440615	standard
3.80608	0.56544	standard
3.81072	0.561731	standard
3.89766	0.599081	standard
3.90045	0.602117	standard
3.91105	0.468127	standard
3.91384	0.464406	standard
4.11838	0.282358	standard
4.12148	0.380174	standard
4.12344	0.531417	standard
4.12625	0.527697	standard
4.12822	0.406407	standard
4.13113	0.314352	standard
4.21632	0.510244	standard
4.22204	0.922688	standard
4.2277	0.503625	standard
4.33862	0.538638	standard
4.3432	0.685321	standard
4.3443	0.659483	standard
4.3489	0.493216	standard
5.88244	0.958166	standard
5.89116	0.962737	standard
5.90566	1.00014	standard
5.91	0.997574	standard
7.87489	0.955169	standard
7.88352	0.955169	standard
3.79319	0.43972	standard
3.79753	0.444583	standard
3.80598	0.56365	standard
3.81032	0.560018	standard
3.89806	0.598933	standard
3.90065	0.601853	standard
3.91075	0.470551	standard
3.91345	0.466882	standard
4.11867	0.282985	standard
4.12158	0.375524	standard
4.12356	0.52482	standard
4.12618	0.53763	standard
4.12802	0.40827	standard
4.13084	0.312985	standard
4.21661	0.510819	standard
4.22204	0.919119	standard
4.2274	0.50456	standard
4.33892	0.539068	standard
4.34326	0.699409	standard
4.34416	0.676115	standard
4.3486	0.495139	standard
5.88274	0.959719	standard
5.89087	0.963497	standard
5.90576	1.00014	standard
5.9099	0.998002	standard
7.87509	0.956333	standard
7.88332	0.956333	standard
3.79408	0.445451	standard
3.79803	0.450555	standard
3.80558	0.557815	standard
3.80963	0.553776	standard
3.89865	0.591496	standard
3.90105	0.594365	standard
3.91025	0.478086	standard
3.91266	0.474631	standard
4.11926	0.285017	standard
4.12193	0.383821	standard
4.12362	0.530163	standard
4.12601	0.540388	standard
4.12776	0.402021	standard
4.1303	0.310821	standard
4.21711	0.510517	standard
4.22205	0.939834	standard
4.22691	0.505336	standard
4.33931	0.537042	standard
4.3432	0.675739	standard
4.34426	0.650441	standard
4.3482	0.496978	standard
5.88303	0.959469	standard
5.89057	0.962301	standard
5.90595	1.00015	standard
5.9097	0.998602	standard
7.87549	0.957248	standard
7.88292	0.957248	standard
3.79537	0.453931	standard
3.79872	0.459011	standard
3.80518	0.551016	standard
3.80854	0.546893	standard
3.89963	0.584103	standard
3.90165	0.586838	standard
3.90945	0.488008	standard
3.91147	0.484782	standard
4.12015	0.28752	standard
4.12238	0.383749	standard
4.12382	0.537044	standard
4.12587	0.54098	standard
4.12726	0.406669	standard
4.12946	0.309262	standard
4.2179	0.511353	standard
4.22202	0.941941	standard
4.22611	0.506462	standard
4.34	0.535096	standard
4.3433	0.682279	standard
4.34413	0.659776	standard
4.34751	0.50008	standard
5.88363	0.960008	standard
5.88997	0.96166	standard
5.90625	1.00015	standard
5.9094	0.999276	standard
7.87608	0.958507	standard
7.88233	0.958507	standard

View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks

Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

Uridine

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

Help