3-Ureidopropionic acid

Simulation outputs:

	Parameter	Value
	Field strength	499.84(MHz)
	RMSD of the fit	0.00478
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)
	Note 1	Oscar Li

Sample description:

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

Show/Hide Spin System Matrix

Spin System Matrix

	10	11	12	13
10	2.36	-12.4	6.686	6.686
11	0	2.36	6.686	6.686
12	0	0	3.291	-12.4
13	0	0	0	3.291

Spectra

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

PPM	Amplitude	Peak Type
2.34697	0.513333	standard
2.36033	1.0	standard
2.37359	0.527589	standard
3.27754	0.52709	standard
3.2909	0.999764	standard
3.30425	0.513302	standard
2.18915	0.380576	standard
2.35225	1.0	standard
2.50992	0.796209	standard
3.1412	0.796158	standard
3.29897	0.999962	standard
3.46208	0.380571	standard
2.24406	0.422552	standard
2.35465	0.999222	standard
2.46409	0.677313	standard
3.18703	0.67726	standard
3.29657	1.0	standard
3.40706	0.422597	standard
2.27383	0.444582	standard
2.35686	1.0	standard
2.4397	0.627396	standard
3.21147	0.628132	standard
3.29436	0.999973	standard
3.37739	0.444579	standard
2.28369	0.451659	standard
2.35758	1.0	standard
2.43128	0.612877	standard
3.21984	0.612785	standard
3.29365	0.999966	standard
3.36749	0.452344	standard
2.29151	0.458104	standard
2.35806	0.998556	standard
2.4245	0.600858	standard
3.22667	0.601634	standard
3.29312	1.00001	standard
3.35961	0.458152	standard
2.32645	0.487145	standard
2.35981	0.999393	standard
2.39308	0.557041	standard
3.25804	0.556892	standard
3.29139	1.0	standard
3.32473	0.487897	standard
2.33787	0.497794	standard
2.36013	0.999312	standard
2.38235	0.544681	standard
3.26883	0.543807	standard
3.29107	1.00004	standard
3.3133	0.498589	standard
2.34356	0.511877	standard
2.36026	0.999407	standard
2.3769	0.529298	standard
3.27422	0.529004	standard
3.29095	1.00024	standard
3.30761	0.51111	standard
2.34697	0.513323	standard
2.36033	1.0	standard
2.37359	0.527574	standard
3.27754	0.527076	standard
3.2909	0.999764	standard
3.30425	0.513292	standard
2.3492	0.520483	standard
2.36033	0.99874	standard
2.37146	0.520482	standard
3.27976	0.520774	standard
3.29085	1.00055	standard
3.30198	0.519661	standard
2.35078	0.520338	standard
2.36036	0.999128	standard
2.36988	0.520667	standard
3.28135	0.520866	standard
3.29085	1.00075	standard
3.30034	0.520867	standard
2.35147	0.520614	standard
2.36038	1.00086	standard
2.36923	0.521403	standard
3.28194	0.520591	standard
3.29085	1.00068	standard
3.29975	0.520591	standard
2.35197	0.520227	standard
2.36038	1.00079	standard
2.36869	0.520964	standard
3.28248	0.521117	standard
3.29085	1.00097	standard
3.29916	0.520989	standard
2.35296	0.520834	standard
2.36038	1.00123	standard
2.36775	0.52189	standard
3.28343	0.520833	standard
3.29085	1.00123	standard
3.29822	0.52189	standard
2.35335	0.5209	standard
2.36038	1.00136	standard
2.36735	0.522053	standard
3.28382	0.5209	standard
3.29085	1.00136	standard
3.29782	0.522054	standard
2.3537	0.520128	standard
2.36038	0.998431	standard
2.36701	0.519812	standard
3.28417	0.520591	standard
3.2908	1.0	standard
3.29748	0.51934	standard
2.35429	0.520036	standard
2.36038	0.998096	standard
2.36641	0.519597	standard
3.28476	0.520541	standard
3.2908	1.0	standard
3.29688	0.51908	standard
2.35523	0.518872	standard
2.36038	0.997632	standard
2.36547	0.520813	standard
3.28565	0.520158	standard
3.2908	1.0	standard
3.29594	0.520158	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

3-Ureidopropionic acid

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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