L-Aspartic acid
Simulation outputs:
Parameter | Value | |
Field strength | 600.13(MHz) | |
RMSD of the fit | 0.01436 | |
Temperature | 298 K | |
pH | 7.4 | |
InChI | InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 | |
Note 1 | Oscar Li |
Sample description:
Compound | Type | Concentration |
---|---|---|
L-Aspartate | Solute | 100mM |
D2O | Solvent | 100% |
sodium phosphate | Buffer | 50mM |
sodium azide | Cytocide | 500uM |
DSS | Reference | 500uM |
Spin System Matrix
10 | 11 | 12 | |
---|---|---|---|
10 | 2.801 | -17.313 | 3.471 |
11 | 0 | 2.673 | 8.864 |
12 | 0 | 0 | 3.886 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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PPM | Amplitude | Peak Type |
---|---|---|
2.64926 | 0.611828 | standard |
2.66394 | 0.61097 | standard |
2.67812 | 0.943795 | standard |
2.6928 | 0.948346 | standard |
2.78567 | 0.988769 | standard |
2.79147 | 1.00023 | standard |
2.81453 | 0.646855 | standard |
2.82033 | 0.63449 | standard |
3.87582 | 0.823565 | standard |
3.88173 | 0.842246 | standard |
3.89049 | 0.843662 | standard |
3.8963 | 0.825227 | standard |
2.19623 | 0.0181341 | standard |
2.62792 | 0.423058 | standard |
2.68178 | 0.455001 | standard |
2.80749 | 1.0 | standard |
3.11271 | 0.0346611 | standard |
3.44002 | 0.0152011 | standard |
3.74522 | 0.290656 | standard |
3.87069 | 0.261387 | standard |
3.92506 | 0.240362 | standard |
4.05081 | 0.178867 | standard |
2.36825 | 0.034231 | standard |
2.49339 | 0.0236231 | standard |
2.65639 | 0.469674 | standard |
2.71027 | 0.510858 | standard |
2.7854 | 1.0 | standard |
2.99802 | 0.048297 | standard |
3.07779 | 0.0150192 | standard |
3.57174 | 0.0105611 | standard |
3.78902 | 0.313938 | standard |
3.86965 | 0.296294 | standard |
3.91296 | 0.277668 | standard |
3.99367 | 0.226119 | standard |
2.45223 | 0.0686001 | standard |
2.54863 | 0.0501758 | standard |
2.66843 | 0.637329 | standard |
2.72617 | 0.722371 | standard |
2.76591 | 1.0 | standard |
2.78168 | 0.969004 | standard |
2.9419 | 0.0836138 | standard |
2.99938 | 0.038258 | standard |
3.81212 | 0.428482 | standard |
3.87002 | 0.411129 | standard |
3.908 | 0.389597 | standard |
3.96584 | 0.334786 | standard |
2.47969 | 0.085158 | standard |
2.5664 | 0.0645917 | standard |
2.67195 | 0.677726 | standard |
2.73209 | 0.805712 | standard |
2.75872 | 1.00001 | standard |
2.78101 | 0.934156 | standard |
2.92358 | 0.101208 | standard |
2.97366 | 0.0522426 | standard |
3.82005 | 0.458621 | standard |
3.87036 | 0.443112 | standard |
3.90639 | 0.420767 | standard |
3.95672 | 0.368188 | standard |
2.5014 | 0.095702 | standard |
2.58034 | 0.0751782 | standard |
2.67441 | 0.664996 | standard |
2.7375 | 0.87699 | standard |
2.75267 | 1.00002 | standard |
2.78021 | 0.865837 | standard |
2.90922 | 0.111579 | standard |
2.95337 | 0.063505 | standard |
3.82639 | 0.453426 | standard |
3.87082 | 0.440704 | standard |
3.90504 | 0.419258 | standard |
3.94949 | 0.372062 | standard |
2.59462 | 0.271431 | standard |
2.63688 | 0.260165 | standard |
2.6812 | 0.869865 | standard |
2.72336 | 0.979912 | standard |
2.76169 | 0.940553 | standard |
2.78102 | 1.00009 | standard |
2.84817 | 0.298479 | standard |
2.86749 | 0.248921 | standard |
3.85573 | 0.641104 | standard |
3.87509 | 0.649133 | standard |
3.89793 | 0.626223 | standard |
3.91729 | 0.59815 | standard |
2.62308 | 0.399512 | standard |
2.65184 | 0.401286 | standard |
2.6807 | 0.908752 | standard |
2.70956 | 0.975585 | standard |
2.77259 | 0.968373 | standard |
2.78481 | 1.00017 | standard |
2.83031 | 0.432529 | standard |
2.84252 | 0.399018 | standard |
3.86573 | 0.723253 | standard |
3.87796 | 0.735244 | standard |
3.89456 | 0.703329 | standard |
3.90679 | 0.689927 | standard |
2.63647 | 0.498932 | standard |
2.65829 | 0.48845 | standard |
2.67971 | 0.936507 | standard |
2.70163 | 0.952405 | standard |
2.77883 | 0.980026 | standard |
2.78779 | 1.00019 | standard |
2.82207 | 0.525934 | standard |
2.83103 | 0.504284 | standard |
3.87078 | 0.758994 | standard |
3.87975 | 0.777003 | standard |
3.89258 | 0.776967 | standard |
3.90155 | 0.758994 | standard |
2.6442 | 0.563519 | standard |
2.66176 | 0.558936 | standard |
2.67882 | 0.941619 | standard |
2.69637 | 0.950566 | standard |
2.78279 | 0.985345 | standard |
2.78988 | 1.00021 | standard |
2.81751 | 0.595577 | standard |
2.82449 | 0.57966 | standard |
3.87385 | 0.79811 | standard |
3.88084 | 0.815868 | standard |
3.89139 | 0.815849 | standard |
3.89838 | 0.79811 | standard |
2.64926 | 0.611761 | standard |
2.66394 | 0.610902 | standard |
2.67812 | 0.943775 | standard |
2.6928 | 0.948327 | standard |
2.78567 | 0.988765 | standard |
2.79147 | 1.00023 | standard |
2.81453 | 0.646797 | standard |
2.82033 | 0.634429 | standard |
3.87582 | 0.823536 | standard |
3.88173 | 0.842224 | standard |
3.89049 | 0.84364 | standard |
3.8963 | 0.825199 | standard |
2.65283 | 0.649362 | standard |
2.66543 | 0.65104 | standard |
2.67753 | 0.945267 | standard |
2.69012 | 0.946829 | standard |
2.78775 | 0.991029 | standard |
2.79266 | 1.00024 | standard |
2.81244 | 0.685882 | standard |
2.81746 | 0.675833 | standard |
3.87731 | 0.844928 | standard |
3.88233 | 0.863666 | standard |
3.88989 | 0.863659 | standard |
3.89492 | 0.844927 | standard |
2.65422 | 0.666119 | standard |
2.66592 | 0.668671 | standard |
2.67723 | 0.946956 | standard |
2.68903 | 0.947406 | standard |
2.78854 | 0.991826 | standard |
2.79316 | 1.00023 | standard |
2.81165 | 0.704466 | standard |
2.81627 | 0.695333 | standard |
3.8779 | 0.856008 | standard |
3.88253 | 0.874768 | standard |
3.8896 | 0.872894 | standard |
3.89432 | 0.853843 | standard |
2.65541 | 0.680459 | standard |
2.66642 | 0.683781 | standard |
2.67703 | 0.947716 | standard |
2.68804 | 0.947253 | standard |
2.78933 | 0.992519 | standard |
2.79366 | 1.00024 | standard |
2.81095 | 0.719825 | standard |
2.81528 | 0.711422 | standard |
3.8784 | 0.864116 | standard |
3.88273 | 0.882863 | standard |
3.8894 | 0.882858 | standard |
3.89373 | 0.864116 | standard |
2.65739 | 0.70517 | standard |
2.66721 | 0.70974 | standard |
2.67663 | 0.948697 | standard |
2.68645 | 0.946705 | standard |
2.79062 | 0.993611 | standard |
2.79445 | 1.00024 | standard |
2.80976 | 0.744178 | standard |
2.81369 | 0.736859 | standard |
3.87919 | 0.875428 | standard |
3.88313 | 0.895002 | standard |
3.889 | 0.894998 | standard |
3.89294 | 0.875428 | standard |
2.65829 | 0.716319 | standard |
2.66751 | 0.721342 | standard |
2.67644 | 0.949421 | standard |
2.68576 | 0.946802 | standard |
2.79111 | 0.994061 | standard |
2.79475 | 1.00024 | standard |
2.80936 | 0.757698 | standard |
2.813 | 0.750941 | standard |
3.87958 | 0.884012 | standard |
3.88323 | 0.902761 | standard |
3.8889 | 0.902757 | standard |
3.89254 | 0.884012 | standard |
2.65898 | 0.725713 | standard |
2.66781 | 0.731065 | standard |
2.67634 | 0.949358 | standard |
2.68516 | 0.946319 | standard |
2.79161 | 0.994439 | standard |
2.79505 | 1.00025 | standard |
2.80886 | 0.765788 | standard |
2.81241 | 0.75935 | standard |
3.87988 | 0.88669 | standard |
3.88343 | 0.9066 | standard |
3.8887 | 0.906597 | standard |
3.89225 | 0.88669 | standard |
2.66027 | 0.743696 | standard |
2.6683 | 0.749791 | standard |
2.67604 | 0.950816 | standard |
2.68407 | 0.946854 | standard |
2.7924 | 0.995042 | standard |
2.79555 | 1.00024 | standard |
2.80817 | 0.786664 | standard |
2.81132 | 0.780962 | standard |
3.88047 | 0.899254 | standard |
3.88362 | 0.918533 | standard |
3.8885 | 0.918531 | standard |
3.89165 | 0.899254 | standard |
2.66225 | 0.771174 | standard |
2.6691 | 0.778562 | standard |
2.67554 | 0.951751 | standard |
2.68239 | 0.946257 | standard |
2.79379 | 0.995875 | standard |
2.79644 | 1.00024 | standard |
2.80708 | 0.816097 | standard |
2.80973 | 0.811292 | standard |
3.88137 | 0.914753 | standard |
3.88402 | 0.934826 | standard |
3.8881 | 0.934825 | standard |
3.89076 | 0.914753 | standard |