2-Aminoethyl-dihydrogen-phosphate

Simulation outputs:

InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)

Parameter

Value

Field strength

499.84(MHz)

RMSD of the fit

0.01211

Temperature

298 K

7.4

InChI

InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)

Note 1

Note 2

Non-hydrogen additional coupling;

Note 3

spin name(s):"9,10", coupling of "0.184000" with "P8"

Note 4

spin name(s):"11,12", coupling of "6.690000" with "P8"

Additional coupling constants

Spin	Coupling constant
9	0.184
10	0.184
11	6.690
12	6.690

Sample description:

Compound	Type	Concentration
2-Aminoethyl dihydrogen phosphate	Solute	100mM
D2O	Solvent	100%
sodium phosphate	Buffer	50mM
sodium azide	Cytocide	500uM
DSS	Reference	500uM

Show/Hide Spin System Matrix

Spin System Matrix

	9	10	11	12
9	3.206	-12.406	3.574	6.331
10	0	3.206	7.165	2.96
11	0	0	3.967	-12.0
12	0	0	0	3.967

Spectra

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

PPM	Amplitude	Peak Type
3.19558	0.827517	standard
3.20547	1.00006	standard
3.21551	0.828848	standard
3.95055	0.423971	standard
3.96371	0.748178	standard
3.97063	0.739822	standard
3.9734	0.618972	standard
3.98385	0.423383	standard
2.94855	0.0355331	standard
3.07335	0.639395	standard
3.17923	1.0	standard
3.24227	0.723545	standard
3.3085	0.957973	standard
3.38723	0.303364	standard
3.78123	0.541596	standard
3.93754	0.808989	standard
4.01357	0.642191	standard
4.0644	0.54197	standard
4.18266	0.337062	standard
3.11838	0.708455	standard
3.19501	1.0	standard
3.22979	0.699508	standard
3.28234	0.920587	standard
3.51213	0.0198371	standard
3.56748	0.0224011	standard
3.60675	0.0207381	standard
3.6626	0.0210561	standard
3.83491	0.474108	standard
3.89017	0.465579	standard
3.94192	0.820926	standard
3.99842	0.658456	standard
4.0295	0.559433	standard
4.11003	0.361754	standard
3.14083	0.743165	standard
3.19979	1.00001	standard
3.22328	0.694523	standard
3.26462	0.89709	standard
3.50578	0.0110191	standard
3.86651	0.461166	standard
3.90973	0.445793	standard
3.94745	0.804105	standard
3.99029	0.682113	standard
4.01217	0.57582	standard
4.0737	0.37949	standard
3.14825	0.754796	standard
3.20101	1.0	standard
3.22101	0.694327	standard
3.2584	0.886369	standard
3.47256	0.00992712	standard
3.87729	0.45564	standard
3.94943	0.79554	standard
3.98759	0.687126	standard
4.00666	0.578938	standard
4.06164	0.383883	standard
3.15414	0.764955	standard
3.20187	1.00001	standard
3.21925	0.694904	standard
3.25337	0.882246	standard
3.44617	0.00929112	standard
3.88601	0.452735	standard
3.95107	0.791108	standard
3.98547	0.694157	standard
4.00225	0.584148	standard
4.05203	0.388925	standard
3.18029	0.801161	standard
3.20469	1.0	standard
3.23001	0.852819	standard
3.92599	0.436476	standard
3.95878	0.76403	standard
3.97604	0.720135	standard
3.98365	0.602823	standard
4.00916	0.407017	standard
3.18883	0.811962	standard
3.20525	1.0001	standard
3.22202	0.843426	standard
3.93959	0.431089	standard
3.96149	0.755768	standard
3.973	0.728582	standard
3.97792	0.609339	standard
3.99506	0.414136	standard
3.19307	0.817926	standard
3.20536	1.00009	standard
3.21798	0.840513	standard
3.94642	0.42935	standard
3.96286	0.754595	standard
3.97151	0.732893	standard
3.97516	0.613161	standard
3.98803	0.416968	standard
3.19558	0.82758	standard
3.20547	1.00006	standard
3.21551	0.82891	standard
3.95055	0.424	standard
3.96371	0.748318	standard
3.97064	0.739924	standard
3.9734	0.619169	standard
3.98384	0.423412	standard
3.19726	0.825213	standard
3.20554	1.00029	standard
3.21388	0.826972	standard
3.95329	0.422322	standard
3.96427	0.746079	standard
3.97004	0.736701	standard
3.97243	0.616423	standard
3.98105	0.422208	standard
3.19849	0.830092	standard
3.20553	1.00029	standard
3.2127	0.830027	standard
3.95527	0.423503	standard
3.96291	0.62926	standard
3.96468	0.745426	standard
3.96963	0.741508	standard
3.97163	0.621548	standard
3.97907	0.42251	standard
3.19894	0.829801	standard
3.20554	1.00045	standard
3.21226	0.828918	standard
3.95608	0.424526	standard
3.96318	0.627304	standard
3.96487	0.747342	standard
3.96945	0.739147	standard
3.97134	0.619922	standard
3.97826	0.42341	standard
3.19938	0.82964	standard
3.20553	1.00028	standard
3.21181	0.830458	standard
3.95676	0.423755	standard
3.96497	0.748091	standard
3.96928	0.738986	standard
3.9711	0.616991	standard
3.97754	0.423345	standard
3.20007	0.825973	standard
3.20559	1.00004	standard
3.21112	0.827951	standard
3.95791	0.422429	standard
3.96373	0.621937	standard
3.96523	0.739209	standard
3.96904	0.740392	standard
3.97059	0.620431	standard
3.97638	0.421915	standard
3.20037	0.826442	standard
3.20559	1.00004	standard
3.21082	0.828544	standard
3.9584	0.422782	standard
3.96392	0.623528	standard
3.96533	0.742353	standard
3.96894	0.739879	standard
3.97042	0.620775	standard
3.97589	0.421698	standard
3.20066	0.826634	standard
3.20559	1.00005	standard
3.21063	0.825454	standard
3.95878	0.421121	standard
3.96536	0.744448	standard
3.96887	0.737512	standard
3.97024	0.622078	standard
3.97547	0.420072	standard
3.20106	0.828913	standard
3.20559	1.00005	standard
3.21013	0.831311	standard
3.95957	0.423563	standard
3.96438	0.627205	standard
3.96556	0.743586	standard
3.96873	0.743582	standard
3.96992	0.627202	standard
3.97472	0.423557	standard
3.2018	0.829441	standard
3.2056	1.0	standard
3.20944	0.830079	standard
3.96073	0.423562	standard
3.96485	0.627577	standard
3.9658	0.746807	standard
3.96845	0.741593	standard
3.96951	0.620278	standard
3.97351	0.423267	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:

2-Aminoethyl-dihydrogen-phosphate

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

Help