O-Phospho-L-serine
Simulation outputs:
Parameter | Value | ||||||
Field strength | 499.84(MHz) | ||||||
RMSD of the fit | 0.02634 | ||||||
Temperature | 298 K | ||||||
pH | 7.4 | ||||||
InChI | InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 | ||||||
Note 1 | 31P additional couplings (2) | ||||||
Additional coupling constants |
|
Sample description:
Compound | Type | Concentration |
---|---|---|
O-Phospho-L-serine | Solute | 100mM |
D2O | Solvent | 100% |
sodium phosphate | Buffer | 50mM |
sodium azide | Cytocide | 500uM |
DSS | Reference | 500uM |
Spin System Matrix
12 | 13 | 14 | |
---|---|---|---|
12 | 4.057 | -11.653 | 6.591 |
13 | 0 | 4.167 | 3.723 |
14 | 0 | 0 | 3.933 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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PPM | Amplitude | Peak Type |
---|---|---|
3.92227 | 0.81856 | standard |
3.92986 | 0.939873 | standard |
3.93529 | 1.00003 | standard |
3.94279 | 0.946767 | standard |
4.03274 | 0.373783 | standard |
4.04264 | 0.449811 | standard |
4.04551 | 0.421298 | standard |
4.05575 | 0.790549 | standard |
4.06633 | 0.66963 | standard |
4.07895 | 0.44987 | standard |
4.14584 | 0.505011 | standard |
4.15335 | 0.561929 | standard |
4.15942 | 0.557305 | standard |
4.16763 | 0.713672 | standard |
4.17638 | 0.414107 | standard |
4.18277 | 0.398044 | standard |
4.19029 | 0.356193 | standard |
3.63383 | 0.0156901 | standard |
3.7689 | 0.148123 | standard |
3.8731 | 0.33674 | standard |
3.93362 | 0.675359 | standard |
4.01171 | 1.0 | standard |
4.06917 | 0.938196 | standard |
4.12736 | 0.870284 | standard |
4.24889 | 0.228573 | standard |
4.43913 | 0.0538491 | standard |
4.60492 | 0.020434 | standard |
3.74482 | 0.0192191 | standard |
3.82898 | 0.255057 | standard |
3.93472 | 0.747733 | standard |
4.01743 | 1.0 | standard |
4.08133 | 0.835069 | standard |
4.10844 | 0.870021 | standard |
4.20951 | 0.362782 | standard |
4.33883 | 0.0907292 | standard |
4.44815 | 0.0343661 | standard |
3.79818 | 0.0262561 | standard |
3.85691 | 0.383251 | standard |
3.9278 | 0.790375 | standard |
3.94521 | 0.862527 | standard |
3.95816 | 0.81804 | standard |
4.03458 | 0.685503 | standard |
4.09656 | 1.0 | standard |
4.17199 | 0.503495 | standard |
4.20601 | 0.480373 | standard |
4.29286 | 0.162583 | standard |
4.33199 | 0.0642932 | standard |
4.38077 | 0.041599 | standard |
3.81485 | 0.0255051 | standard |
3.86641 | 0.388789 | standard |
3.92798 | 0.741721 | standard |
3.96349 | 0.825814 | standard |
4.0387 | 0.564516 | standard |
4.09353 | 1.0 | standard |
4.15833 | 0.558346 | standard |
4.19883 | 0.477714 | standard |
4.23427 | 0.12212 | standard |
4.27769 | 0.150977 | standard |
4.316 | 0.075646 | standard |
4.3629 | 0.031866 | standard |
3.82774 | 0.0237541 | standard |
3.87382 | 0.369262 | standard |
3.9322 | 0.659896 | standard |
3.96475 | 0.832716 | standard |
4.04147 | 0.489395 | standard |
4.09221 | 1.0 | standard |
4.12841 | 0.479394 | standard |
4.15066 | 0.587555 | standard |
4.19326 | 0.450782 | standard |
4.22936 | 0.117127 | standard |
4.26485 | 0.130472 | standard |
4.30168 | 0.0802112 | standard |
4.35069 | 0.022336 | standard |
3.90507 | 0.70422 | standard |
3.92466 | 0.86188 | standard |
3.93626 | 0.98203 | standard |
3.95542 | 1.00001 | standard |
3.99534 | 0.344634 | standard |
4.00728 | 0.243211 | standard |
4.0194 | 0.358545 | standard |
4.05156 | 0.711196 | standard |
4.07884 | 0.85338 | standard |
4.1097 | 0.608119 | standard |
4.11862 | 0.700275 | standard |
4.13855 | 0.665641 | standard |
4.15256 | 0.610083 | standard |
4.1734 | 0.712274 | standard |
4.19492 | 0.294983 | standard |
4.21099 | 0.288624 | standard |
4.23023 | 0.241061 | standard |
3.91475 | 0.767648 | standard |
3.92761 | 0.908217 | standard |
3.9362 | 1.0 | standard |
3.9487 | 0.975702 | standard |
4.0163 | 0.347419 | standard |
4.02469 | 0.20078 | standard |
4.03257 | 0.398572 | standard |
4.03705 | 0.34312 | standard |
4.05425 | 0.752873 | standard |
4.07223 | 0.749496 | standard |
4.09267 | 0.466908 | standard |
4.13334 | 0.540764 | standard |
4.14597 | 0.606361 | standard |
4.15576 | 0.582324 | standard |
4.16947 | 0.709163 | standard |
4.18412 | 0.355829 | standard |
4.19475 | 0.336298 | standard |
4.20746 | 0.300025 | standard |
3.9195 | 0.798839 | standard |
3.92901 | 0.92702 | standard |
3.9357 | 1.00001 | standard |
3.94506 | 0.957233 | standard |
4.0266 | 0.361732 | standard |
4.0389 | 0.427789 | standard |
4.04244 | 0.38935 | standard |
4.05525 | 0.774974 | standard |
4.06857 | 0.696969 | standard |
4.08418 | 0.454357 | standard |
4.14099 | 0.517418 | standard |
4.15037 | 0.577743 | standard |
4.15791 | 0.565697 | standard |
4.16811 | 0.701999 | standard |
4.17917 | 0.390183 | standard |
4.18717 | 0.368212 | standard |
4.1966 | 0.333551 | standard |
3.92227 | 0.818621 | standard |
3.92986 | 0.93988 | standard |
3.93529 | 1.00003 | standard |
3.94279 | 0.946791 | standard |
4.03274 | 0.373829 | standard |
4.04264 | 0.44973 | standard |
4.04551 | 0.421189 | standard |
4.05575 | 0.790532 | standard |
4.06633 | 0.669326 | standard |
4.07895 | 0.449899 | standard |
4.14584 | 0.505023 | standard |
4.15335 | 0.561966 | standard |
4.15942 | 0.557342 | standard |
4.16763 | 0.7132 | standard |
4.17638 | 0.414136 | standard |
4.18276 | 0.39811 | standard |
4.19029 | 0.356238 | standard |
3.92414 | 0.832305 | standard |
3.93043 | 0.948755 | standard |
3.935 | 1.00007 | standard |
3.94121 | 0.940016 | standard |
4.03681 | 0.382827 | standard |
4.04508 | 0.463296 | standard |
4.04757 | 0.441054 | standard |
4.05605 | 0.803731 | standard |
4.0648 | 0.655492 | standard |
4.06641 | 0.631838 | standard |
4.07533 | 0.447543 | standard |
4.14915 | 0.496986 | standard |
4.15537 | 0.551014 | standard |
4.16049 | 0.550609 | standard |
4.16732 | 0.713766 | standard |
4.17459 | 0.422654 | standard |
4.17992 | 0.412483 | standard |
4.18615 | 0.371454 | standard |
3.92542 | 0.839742 | standard |
3.93082 | 0.952805 | standard |
3.93469 | 1.00017 | standard |
3.94003 | 0.936808 | standard |
4.03976 | 0.391098 | standard |
4.0469 | 0.484567 | standard |
4.04884 | 0.467723 | standard |
4.05615 | 0.813673 | standard |
4.06362 | 0.640234 | standard |
4.06522 | 0.616526 | standard |
4.07275 | 0.447265 | standard |
4.15154 | 0.492498 | standard |
4.15687 | 0.544896 | standard |
4.16127 | 0.547152 | standard |
4.16714 | 0.7045 | standard |
4.17334 | 0.435533 | standard |
4.178 | 0.421018 | standard |
4.18324 | 0.384442 | standard |
3.92592 | 0.849664 | standard |
3.9309 | 0.963482 | standard |
3.93459 | 1.00016 | standard |
3.93953 | 0.935436 | standard |
4.04088 | 0.392451 | standard |
4.04755 | 0.486079 | standard |
4.04938 | 0.4704 | standard |
4.05626 | 0.809285 | standard |
4.06329 | 0.640903 | standard |
4.06467 | 0.619504 | standard |
4.07172 | 0.445079 | standard |
4.15245 | 0.48634 | standard |
4.15751 | 0.534294 | standard |
4.16154 | 0.543142 | standard |
4.16709 | 0.714658 | standard |
4.17288 | 0.442743 | standard |
4.17717 | 0.428256 | standard |
4.18212 | 0.390422 | standard |
3.92641 | 0.850968 | standard |
3.9311 | 0.966858 | standard |
3.93449 | 1.00025 | standard |
3.93914 | 0.931092 | standard |
4.04188 | 0.394141 | standard |
4.04812 | 0.486828 | standard |
4.04991 | 0.472609 | standard |
4.05631 | 0.813708 | standard |
4.06284 | 0.630465 | standard |
4.06425 | 0.60866 | standard |
4.07081 | 0.443519 | standard |
4.15333 | 0.484378 | standard |
4.15798 | 0.530034 | standard |
4.16186 | 0.539352 | standard |
4.16698 | 0.703791 | standard |
4.17248 | 0.445533 | standard |
4.17648 | 0.431298 | standard |
4.18113 | 0.393203 | standard |
3.9271 | 0.867372 | standard |
3.93128 | 0.969465 | standard |
3.9344 | 1.00019 | standard |
3.93855 | 0.931699 | standard |
4.0436 | 0.401389 | standard |
4.04919 | 0.505199 | standard |
4.05063 | 0.493941 | standard |
4.05636 | 0.823155 | standard |
4.06216 | 0.625984 | standard |
4.06347 | 0.604915 | standard |
4.06928 | 0.445731 | standard |
4.15479 | 0.48372 | standard |
4.15895 | 0.530115 | standard |
4.16238 | 0.540844 | standard |
4.16697 | 0.727955 | standard |
4.17178 | 0.459605 | standard |
4.17531 | 0.441659 | standard |
4.17946 | 0.405284 | standard |
3.9274 | 0.861271 | standard |
3.93138 | 0.965144 | standard |
3.9343 | 1.00024 | standard |
3.93825 | 0.922034 | standard |
4.04424 | 0.399527 | standard |
4.04951 | 0.496836 | standard |
4.05101 | 0.486295 | standard |
4.05641 | 0.817813 | standard |
4.06191 | 0.619373 | standard |
4.06314 | 0.599226 | standard |
4.06864 | 0.441424 | standard |
4.15539 | 0.47802 | standard |
4.15935 | 0.528555 | standard |
4.16258 | 0.542496 | standard |
4.16695 | 0.713064 | standard |
4.17148 | 0.458351 | standard |
4.17491 | 0.44002 | standard |
4.17876 | 0.405287 | standard |
3.9277 | 0.861267 | standard |
3.93148 | 0.967827 | standard |
3.9342 | 1.00033 | standard |
3.93796 | 0.918831 | standard |
4.04486 | 0.400248 | standard |
4.04987 | 0.494687 | standard |
4.05136 | 0.485096 | standard |
4.05646 | 0.819523 | standard |
4.06168 | 0.622951 | standard |
4.06277 | 0.604382 | standard |
4.06801 | 0.440475 | standard |
4.15596 | 0.477397 | standard |
4.15962 | 0.52458 | standard |
4.16281 | 0.539381 | standard |
4.16685 | 0.707829 | standard |
4.17127 | 0.459367 | standard |
4.17442 | 0.442203 | standard |
4.17819 | 0.405243 | standard |
3.92819 | 0.867881 | standard |
3.93157 | 0.969333 | standard |
3.9341 | 1.00024 | standard |
3.93746 | 0.920925 | standard |
4.04597 | 0.404771 | standard |
4.05055 | 0.511053 | standard |
4.05176 | 0.503166 | standard |
4.05646 | 0.820966 | standard |
4.06123 | 0.620505 | standard |
4.06224 | 0.603093 | standard |
4.06699 | 0.441287 | standard |
4.15687 | 0.475714 | standard |
4.16023 | 0.523523 | standard |
4.16309 | 0.538052 | standard |
4.16681 | 0.703609 | standard |
4.1708 | 0.464967 | standard |
4.17372 | 0.447407 | standard |
4.17708 | 0.411215 | standard |
3.92888 | 0.875602 | standard |
3.93176 | 0.968631 | standard |
3.93401 | 1.00011 | standard |
3.93677 | 0.926138 | standard |
4.0476 | 0.412237 | standard |
4.05148 | 0.520658 | standard |
4.05252 | 0.514973 | standard |
4.05651 | 0.828895 | standard |
4.06055 | 0.614432 | standard |
4.06145 | 0.597856 | standard |
4.06545 | 0.443514 | standard |
4.15833 | 0.474664 | standard |
4.1612 | 0.522744 | standard |
4.1636 | 0.537231 | standard |
4.16678 | 0.701637 | standard |
4.17019 | 0.474484 | standard |
4.17264 | 0.457461 | standard |
4.17551 | 0.419616 | standard |