(2-Methyl-3-furyl)methylamine

Simulation outputs:

	Parameter	Value
	Field strength	600.01(MHz)
	RMSD of the fit	0.05494
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C6H9NO/c1-5-6(4-7)2-3-8-5/h2-3H,4,7H2,1H3
	Note 1	contaminants

Sample description:

Compound	Type	Concentration
(2-Methyl-3-furyl)methylamine	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

	9	10	11	12	13	14	15
9	2.286	-14.0	-14.0	0	0	0	0
10	0	2.286	-14.0	0	0	0	0
11	0	0	2.286	0	0	0	0
12	0	0	0	6.468	1.92	0	0
13	0	0	0	0	7.418	0	0
14	0	0	0	0	0	3.999	-14.0
15	0	0	0	0	0	0	3.999

Spectra

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

PPM	Amplitude	Peak Type
2.28624	1.0	standard
3.99899	0.666667	standard
6.46632	0.204175	standard
6.46915	0.204175	standard
7.41623	0.204175	standard
7.41906	0.204175	standard
2.28624	1.0	standard
3.99899	0.666764	standard
6.44594	0.197788	standard
6.48891	0.210028	standard
7.39647	0.209941	standard
7.43943	0.197539	standard
2.28624	1.0	standard
3.99899	0.666759	standard
6.4532	0.201966	standard
6.48179	0.205867	standard
7.40347	0.205659	standard
7.43219	0.201748	standard
2.28624	1.0	standard
3.99899	0.666698	standard
6.4568	0.203057	standard
6.47831	0.204389	standard
7.40697	0.204379	standard
7.42848	0.203046	standard
2.28624	1.0	standard
3.99899	0.666412	standard
6.45805	0.203246	standard
6.47715	0.204063	standard
7.40823	0.204055	standard
7.42733	0.203236	standard
2.28624	1.0	standard
3.99899	0.666679	standard
6.45901	0.203248	standard
6.47627	0.203886	standard
7.40911	0.203879	standard
7.42637	0.203241	standard
2.28624	1.0	standard
3.99899	0.666666	standard
6.46337	0.203535	standard
6.472	0.203537	standard
7.41338	0.203536	standard
7.42201	0.203533	standard
2.28624	1.0	standard
3.99899	0.666669	standard
6.46479	0.203213	standard
6.47058	0.203213	standard
7.41481	0.204185	standard
7.42048	0.204184	standard
2.28624	1.0	standard
3.99899	0.666668	standard
6.46561	0.204181	standard
6.46986	0.204181	standard
7.41552	0.20418	standard
7.41977	0.20418	standard
2.28624	1.0	standard
3.99899	0.666667	standard
6.46595	0.20321	standard
6.46942	0.20321	standard
7.41597	0.204851	standard
7.41932	0.204851	standard
2.28624	1.0	standard
3.99899	0.666667	standard
6.46632	0.204177	standard
6.46915	0.204177	standard
7.41623	0.204176	standard
7.41906	0.204176	standard
2.28624	1.0	standard
3.99899	0.666667	standard
6.46649	0.2029	standard
6.46898	0.2029	standard
7.41639	0.2029	standard
7.41889	0.2029	standard
2.28624	1.0	standard
3.99899	0.666542	standard
6.46658	0.203154	standard
6.46889	0.203202	standard
7.41648	0.203203	standard
7.4188	0.203156	standard
2.28624	1.0	standard
3.99899	0.666667	standard
6.46667	0.204189	standard
6.4688	0.204189	standard
7.41658	0.204189	standard
7.4187	0.204189	standard
2.28624	1.0	standard
3.99899	0.666667	standard
6.46675	0.202005	standard
6.46872	0.202216	standard
7.41666	0.202005	standard
7.41863	0.202216	standard
2.28624	1.0	standard
3.99899	0.666667	standard
6.46686	0.204856	standard
6.46861	0.204856	standard
7.41676	0.204856	standard
7.41852	0.204856	standard
2.28624	1.0	standard
3.99899	0.666935	standard
6.46685	0.204936	standard
6.46852	0.204936	standard
7.41674	0.201747	standard
7.41854	0.201747	standard
2.28624	1.0	standard
3.99899	0.666667	standard
6.46702	0.202913	standard
6.46835	0.203112	standard
7.41693	0.203112	standard
7.41826	0.202914	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

(2-Methyl-3-furyl)methylamine

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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