2-Methoxypyridin-3-amine

Simulation outputs:

	Parameter	Value
	Field strength	600.01(MHz)
	RMSD of the fit	0.02080
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C6H8N2O/c1-9-6-5(7)3-2-4-8-6/h2-4H,7H2,1H3
	Note 1	intensities strange

Sample description:

Compound	Type	Concentration
2-Methoxypyridin-3-amine	Solute	75uM
DSS	Reference	15uM
bis-Tris-d19	Buffer	11mM
NaCl	.	150mM
NaN3	.	0.04%.
Na Formate	.	200uM

Show/Hide Spin System Matrix

Spin System Matrix

	10	11	12	13	14	15
10	3.939	-14.0	-14.0	0	0	0
11	0	3.939	-14.0	0	0	0
12	0	0	3.939	0	0	0
13	0	0	0	6.889	7.856	5.54
14	0	0	0	0	7.166	1.464
15	0	0	0	0	0	7.541

Spectra

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

PPM	Amplitude	Peak Type
3.93918	1.0	standard
6.8778	0.0866469	standard
6.88724	0.106346	standard
6.89067	0.111824	standard
6.90006	0.0932168	standard
7.16057	0.133181	standard
7.17269	0.122514	standard
7.53734	0.133058	standard
7.5453	0.132686	standard
3.93918	1.0	standard
6.69066	0.0408401	standard
6.8258	0.064747	standard
6.88615	0.124461	standard
7.01388	0.204532	standard
7.07758	0.191436	standard
7.11934	0.210914	standard
7.27194	0.069996	standard
7.46596	0.150261	standard
7.50527	0.136865	standard
7.58894	0.11144	standard
7.62777	0.0960031	standard
3.93918	1.0	standard
6.76227	0.0517041	standard
6.85402	0.0791461	standard
6.89218	0.121151	standard
6.98054	0.151901	standard
7.12634	0.181472	standard
7.23499	0.0785914	standard
7.49087	0.143106	standard
7.50994	0.138576	standard
7.57699	0.116517	standard
3.93918	1.0	standard
6.79651	0.0589711	standard
6.86624	0.0873071	standard
6.89372	0.119187	standard
6.96143	0.13419	standard
7.13261	0.168458	standard
7.21704	0.0875242	standard
7.50376	0.140919	standard
7.5148	0.139058	standard
7.56951	0.119628	standard
3.93918	1.0	standard
6.80756	0.061729	standard
6.86975	0.090116	standard
6.89391	0.11871	standard
6.95449	0.12898	standard
7.13517	0.164636	standard
7.21109	0.0917624	standard
7.50812	0.140265	standard
7.51713	0.139132	standard
7.56685	0.121495	standard
3.93918	1.0	standard
6.81635	0.0640653	standard
6.8725	0.092402	standard
6.894	0.118146	standard
6.94885	0.12474	standard
7.1375	0.160518	standard
7.20645	0.0948871	standard
7.51159	0.139352	standard
7.51916	0.1388	standard
7.56459	0.122583	standard
3.93918	1.0	standard
6.85418	0.0762204	standard
6.88249	0.101601	standard
6.89287	0.114894	standard
6.92083	0.106327	standard
7.14975	0.145426	standard
7.18585	0.111949	standard
7.52959	0.137764	standard
7.55341	0.129191	standard
3.93918	1.0	standard
6.86614	0.0816856	standard
6.88505	0.103676	standard
6.8919	0.11367	standard
6.91064	0.100145	standard
7.15495	0.139423	standard
7.17917	0.117091	standard
7.53347	0.135187	standard
7.54936	0.131594	standard
3.93918	1.0	standard
6.87207	0.0840584	standard
6.88618	0.104604	standard
6.89139	0.112997	standard
6.9054	0.0968812	standard
7.15764	0.13736	standard
7.176	0.12045	standard
7.53531	0.134505	standard
7.54734	0.133293	standard
3.93918	1.0	standard
6.87553	0.0855284	standard
6.8868	0.105323	standard
6.89094	0.112357	standard
6.90223	0.095088	standard
7.15943	0.134681	standard
7.17417	0.123117	standard
7.53652	0.132985	standard
7.54622	0.134815	standard
3.93918	1.0	standard
6.8778	0.086644	standard
6.88724	0.106364	standard
6.89067	0.111852	standard
6.90006	0.0939705	standard
7.16057	0.133193	standard
7.17272	0.122915	standard
7.53734	0.133083	standard
7.54532	0.13308	standard
3.93918	1.0	standard
6.87949	0.0872215	standard
6.88749	0.106115	standard
6.8905	0.110542	standard
6.89857	0.093354	standard
7.16133	0.13342	standard
7.17187	0.12476	standard
7.53778	0.1337	standard
7.54477	0.13402	standard
3.93918	1.0	standard
6.88008	0.0872663	standard
6.88769	0.107115	standard
6.89041	0.11155	standard
6.89788	0.0932843	standard
7.16171	0.132127	standard
7.17148	0.123886	standard
7.53805	0.132917	standard
7.54451	0.132901	standard
3.93918	1.0	standard
6.88067	0.0875477	standard
6.88777	0.107382	standard
6.89031	0.111478	standard
6.89739	0.0930374	standard
7.16208	0.131179	standard
7.17111	0.123531	standard
7.5383	0.132404	standard
7.54425	0.132404	standard
3.93918	1.0	standard
6.88166	0.0882119	standard
6.88794	0.10778	standard
6.89023	0.110461	standard
6.8965	0.0916678	standard
7.16254	0.129383	standard
7.17055	0.124002	standard
7.53866	0.13206	standard
7.5439	0.131622	standard
3.93918	1.0	standard
6.88206	0.0887049	standard
6.88793	0.10733	standard
6.89014	0.109419	standard
6.8961	0.091873	standard
7.16277	0.129388	standard
7.17034	0.12499	standard
7.53876	0.131989	standard
7.54379	0.132305	standard
3.93918	1.0	standard
6.88235	0.0891791	standard
6.88802	0.107013	standard
6.89015	0.109171	standard
6.8957	0.091576	standard
7.16276	0.134049	standard
7.17022	0.126042	standard
7.53887	0.132981	standard
7.54368	0.132785	standard
3.93918	1.0	standard
6.88394	0.0897767	standard
6.88829	0.108787	standard
6.88987	0.109476	standard
6.89422	0.0905817	standard
7.16336	0.125823	standard
7.1638	0.126545	standard
7.16941	0.130153	standard
7.53949	0.131073	standard
7.54307	0.131017	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

2-Methoxypyridin-3-amine

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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