Guided Ideographic Spin System Model Optimization

Global links:

GISSMO Home

GISSMO Library

GISSMO Tutorial

GISSMO-GUI

Web Services:

Peak Search

Mixture Simulation

Mol to jpg conversion

Simulation: simulation_1

BMRB entry

ALATIS cross link

Gateway cross link

Download simulation data

View entry XML

Download entry NMR-STAR

Download entry NMReDATA

External links:

NMRFAM Servers

pKa (R. Williams)

1H NMR (Hans J. Reich)

Cytosine

Simulation outputs:

InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8) Parameter Value
Field strength 400.13(MHz)
RMSD of the fit 0.01002
Temperature 298 K
pH 7.4
InChI InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
Note 1 9?10

Sample description:

Compound Type Concentration
Cytosine Solute 100uM
Show/Hide Spin System Matrix

Spin System Matrix

9 10
9 5.958 7.006
10 0 7.486

Spectra

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

Help

To zoom into a region, draw a box around it.
Hover over the x/y-axis and use mouse-wheel to zoom in/out.
Hover over the x/y-axis hold down left-button to move around the spectra.
(De)activate a spectrum by clicking on its legend.
PPM Amplitude Peak Type
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.4125e-05 standard
0.802744 standard
1.0 standard
1.0 standard
0.802744 standard
6.125e-06 standard
0.863582 standard
1.00001 standard
1.00001 standard
0.863582 standard
4.125e-06 standard
0.895788 standard
1.00001 standard
1.00001 standard
0.895788 standard
3.125e-06 standard
0.906757 standard
0.999962 standard
1.00001 standard
0.906807 standard
2.125e-06 standard
0.91571 standard
1.00001 standard
1.00001 standard
0.91571 standard
1.125e-06 standard
0.956919 standard
1.00001 standard
0.999903 standard
0.956811 standard
1.00001 standard
1.00001 standard
0.999845 standard
0.999845 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
0.999737 standard
0.999737 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 standard
1.00001 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