L-Phenylalanine
Simulation outputs:
![]() |
Parameter | Value |
Field strength | 600.13(MHz) | |
RMSD of the fit | 0.01863 | |
Temperature | 298 K | |
pH | 7.4 | |
InChI | InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 | |
Note 1 | Copied from spin matrix of bmse000900 | |
Note 2 | Oscar Li |
Sample description:
Compound | Type | Concentration |
---|---|---|
L-Phenylalanine | Solute | 100mM |
D2O | Solvent | 100% |
sodium phosphate | Buffer | 50mM |
sodium azide | Cytocide | 500uM |
DSS | Reference | 500uM |
Spin System Matrix
13 | 14 | 15 | 16 | 17 | 18 | 19 | 20 | |
---|---|---|---|---|---|---|---|---|
13 | 7.363 | 7.312 | 7.312 | 0 | 0 | 0 | 0 | 0 |
14 | 0 | 7.413 | 1.498 | 7.609 | 0 | 0 | 0 | 0 |
15 | 0 | 0 | 7.413 | 0 | 7.609 | 0 | 0 | 0 |
16 | 0 | 0 | 0 | 7.315 | 1.5 | 0 | 0 | 0 |
17 | 0 | 0 | 0 | 0 | 7.315 | 0 | 0 | 0 |
18 | 0 | 0 | 0 | 0 | 0 | 3.117 | -14.379 | 8.102 |
19 | 0 | 0 | 0 | 0 | 0 | 0 | 3.27 | 4.932 |
20 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.978 |
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 |
---|---|---|
3.09779 | 0.230461 | standard |
3.11128 | 0.238188 | standard |
3.12168 | 0.317439 | standard |
3.13517 | 0.312111 | standard |
3.25442 | 0.320505 | standard |
3.26261 | 0.323983 | standard |
3.27831 | 0.240843 | standard |
3.28651 | 0.236464 | standard |
3.96727 | 0.283406 | standard |
3.97553 | 0.311406 | standard |
3.98068 | 0.311399 | standard |
3.98894 | 0.283406 | standard |
7.30843 | 0.786553 | standard |
7.32068 | 1.00027 | standard |
7.34993 | 0.17952 | standard |
7.36205 | 0.402155 | standard |
7.37381 | 0.423592 | standard |
7.40216 | 0.635915 | standard |
7.41427 | 0.793308 | standard |
7.42632 | 0.300894 | standard |
2.71388 | 0.00757513 | standard |
3.07108 | 0.115907 | standard |
3.13904 | 0.131785 | standard |
3.26529 | 0.308131 | standard |
3.49368 | 0.0144971 | standard |
3.83416 | 0.101001 | standard |
3.96571 | 0.0827981 | standard |
4.02359 | 0.073249 | standard |
4.15585 | 0.0484651 | standard |
7.36439 | 1.0 | standard |
2.86315 | 0.0159381 | standard |
2.99289 | 0.0197631 | standard |
3.10203 | 0.144884 | standard |
3.17025 | 0.16809 | standard |
3.23328 | 0.257525 | standard |
3.25286 | 0.249658 | standard |
3.40779 | 0.0231292 | standard |
3.49547 | 0.0148011 | standard |
3.87775 | 0.114985 | standard |
3.96631 | 0.106206 | standard |
4.00469 | 0.0987146 | standard |
4.0935 | 0.070319 | standard |
7.3669 | 1.0 | standard |
2.93473 | 0.029687 | standard |
3.03242 | 0.03463 | standard |
3.11411 | 0.18445 | standard |
3.19055 | 0.256334 | standard |
3.2101 | 0.29629 | standard |
3.25223 | 0.251425 | standard |
3.36666 | 0.038022 | standard |
3.43184 | 0.028552 | standard |
3.90124 | 0.142978 | standard |
3.96708 | 0.139472 | standard |
3.99736 | 0.13182 | standard |
4.06334 | 0.0996881 | standard |
7.2586 | 0.0942961 | standard |
7.37287 | 1.0 | standard |
2.95792 | 0.038143 | standard |
3.04504 | 0.0438471 | standard |
3.11732 | 0.204459 | standard |
3.20031 | 0.399005 | standard |
3.25151 | 0.26518 | standard |
3.35345 | 0.0470782 | standard |
3.41106 | 0.0373294 | standard |
3.90936 | 0.157875 | standard |
3.96755 | 0.156583 | standard |
3.99525 | 0.148861 | standard |
4.05355 | 0.115147 | standard |
7.26599 | 0.117082 | standard |
7.34746 | 0.830463 | standard |
7.37556 | 1.0 | standard |
7.53533 | 0.0247751 | standard |
2.97606 | 0.0471201 | standard |
3.05475 | 0.0534842 | standard |
3.11967 | 0.222314 | standard |
3.19876 | 0.487711 | standard |
3.25113 | 0.278897 | standard |
3.34309 | 0.0565412 | standard |
3.39476 | 0.0467151 | standard |
3.9159 | 0.171544 | standard |
3.96797 | 0.172326 | standard |
3.99349 | 0.164621 | standard |
4.04563 | 0.129608 | standard |
7.27305 | 0.141998 | standard |
7.34531 | 0.827818 | standard |
7.37811 | 1.0 | standard |
7.52194 | 0.0291501 | standard |
3.05297 | 0.117359 | standard |
3.09308 | 0.129019 | standard |
3.12486 | 0.281389 | standard |
3.16482 | 0.308693 | standard |
3.22896 | 0.291531 | standard |
3.25395 | 0.313855 | standard |
3.30084 | 0.128731 | standard |
3.32584 | 0.123069 | standard |
3.94619 | 0.228589 | standard |
3.9715 | 0.24205 | standard |
3.98598 | 0.235374 | standard |
4.0112 | 0.200792 | standard |
7.29421 | 0.380607 | standard |
7.3305 | 0.774068 | standard |
7.35518 | 0.29685 | standard |
7.36263 | 0.285282 | standard |
7.38793 | 1.00001 | standard |
7.42131 | 0.37551 | standard |
7.44955 | 0.113913 | standard |
3.07617 | 0.1814 | standard |
3.10307 | 0.193304 | standard |
3.12416 | 0.333385 | standard |
3.15093 | 0.35049 | standard |
3.24095 | 0.345495 | standard |
3.25743 | 0.355239 | standard |
3.28884 | 0.196112 | standard |
3.30533 | 0.188732 | standard |
3.95669 | 0.282717 | standard |
3.97331 | 0.303196 | standard |
3.98329 | 0.294789 | standard |
4.00003 | 0.265466 | standard |
7.30151 | 0.635885 | standard |
7.32536 | 1.00004 | standard |
7.35928 | 0.312849 | standard |
7.38072 | 0.608717 | standard |
7.39429 | 0.811643 | standard |
7.41722 | 0.585713 | standard |
7.43849 | 0.183627 | standard |
3.08718 | 0.20463 | standard |
3.10742 | 0.213385 | standard |
3.12317 | 0.325885 | standard |
3.1433 | 0.326166 | standard |
3.24748 | 0.331568 | standard |
3.25982 | 0.336254 | standard |
3.28338 | 0.215593 | standard |
3.29572 | 0.209576 | standard |
3.96193 | 0.277487 | standard |
3.97437 | 0.304481 | standard |
3.98204 | 0.301942 | standard |
3.99448 | 0.274528 | standard |
7.30495 | 0.709275 | standard |
7.32307 | 1.00016 | standard |
7.34266 | 0.167712 | standard |
7.36076 | 0.331302 | standard |
7.3776 | 0.500073 | standard |
7.39782 | 0.71069 | standard |
7.41565 | 0.672752 | standard |
7.43288 | 0.227257 | standard |
3.09362 | 0.220124 | standard |
3.10979 | 0.227349 | standard |
3.12237 | 0.320425 | standard |
3.13854 | 0.316706 | standard |
3.25154 | 0.324619 | standard |
3.26142 | 0.328446 | standard |
3.2803 | 0.230154 | standard |
3.29017 | 0.225251 | standard |
3.9651 | 0.279997 | standard |
3.97505 | 0.308117 | standard |
3.98116 | 0.30748 | standard |
3.99112 | 0.279974 | standard |
7.30706 | 0.755542 | standard |
7.32169 | 1.00023 | standard |
7.34707 | 0.170568 | standard |
7.36154 | 0.364342 | standard |
7.37546 | 0.452473 | standard |
7.40034 | 0.665027 | standard |
7.41477 | 0.743851 | standard |
7.42899 | 0.267055 | standard |
3.09779 | 0.230439 | standard |
3.11128 | 0.238169 | standard |
3.12168 | 0.31743 | standard |
3.13517 | 0.3121 | standard |
3.25442 | 0.320497 | standard |
3.26261 | 0.323976 | standard |
3.27831 | 0.240824 | standard |
3.28651 | 0.236444 | standard |
3.96727 | 0.283394 | standard |
3.97553 | 0.311403 | standard |
3.98068 | 0.311396 | standard |
3.98894 | 0.283393 | standard |
7.30843 | 0.78652 | standard |
7.32068 | 1.00027 | standard |
7.34993 | 0.179499 | standard |
7.36205 | 0.402148 | standard |
7.37381 | 0.423603 | standard |
7.40216 | 0.635947 | standard |
7.41427 | 0.792964 | standard |
7.42632 | 0.300922 | standard |
3.10066 | 0.237863 | standard |
3.11227 | 0.245594 | standard |
3.12128 | 0.31449 | standard |
3.13279 | 0.308815 | standard |
3.2564 | 0.317398 | standard |
3.26341 | 0.320654 | standard |
3.27692 | 0.248192 | standard |
3.28403 | 0.244137 | standard |
3.96876 | 0.2854 | standard |
3.97593 | 0.314283 | standard |
3.98029 | 0.314533 | standard |
3.98736 | 0.285835 | standard |
7.30939 | 0.815114 | standard |
7.31994 | 1.0 | standard |
7.35198 | 0.189296 | standard |
7.36236 | 0.431798 | standard |
7.37255 | 0.404757 | standard |
7.40354 | 0.62359 | standard |
7.41394 | 0.826802 | standard |
7.42436 | 0.328587 | standard |
3.10185 | 0.24046 | standard |
3.11267 | 0.248367 | standard |
3.12099 | 0.312646 | standard |
3.1318 | 0.306677 | standard |
3.25729 | 0.315449 | standard |
3.2638 | 0.318684 | standard |
3.27643 | 0.251194 | standard |
3.28294 | 0.247253 | standard |
3.96945 | 0.286271 | standard |
3.97602 | 0.314983 | standard |
3.9801 | 0.314705 | standard |
3.98677 | 0.285799 | standard |
7.30978 | 0.821828 | standard |
7.31966 | 1.00006 | standard |
7.3528 | 0.194375 | standard |
7.36247 | 0.44301 | standard |
7.37203 | 0.39856 | standard |
7.40409 | 0.613824 | standard |
7.41382 | 0.842266 | standard |
7.42358 | 0.340045 | standard |
3.10284 | 0.242396 | standard |
3.11296 | 0.2501 | standard |
3.12089 | 0.310471 | standard |
3.131 | 0.304519 | standard |
3.25798 | 0.313302 | standard |
3.2641 | 0.316416 | standard |
3.27593 | 0.252781 | standard |
3.28215 | 0.248961 | standard |
3.96995 | 0.286116 | standard |
3.97612 | 0.314057 | standard |
3.98 | 0.314054 | standard |
3.98617 | 0.286116 | standard |
7.3101 | 0.831961 | standard |
7.31941 | 1.0005 | standard |
7.35349 | 0.200447 | standard |
7.36254 | 0.454913 | standard |
7.37151 | 0.391208 | standard |
7.4046 | 0.603282 | standard |
7.41378 | 0.850667 | standard |
7.42289 | 0.343438 | standard |
3.10453 | 0.246482 | standard |
3.11356 | 0.254525 | standard |
3.12049 | 0.308503 | standard |
3.12952 | 0.302077 | standard |
3.25927 | 0.311006 | standard |
3.2647 | 0.314032 | standard |
3.27523 | 0.257356 | standard |
3.28066 | 0.25374 | standard |
3.97084 | 0.287081 | standard |
3.97631 | 0.314461 | standard |
3.97981 | 0.314459 | standard |
3.98528 | 0.287081 | standard |
7.31065 | 0.845863 | standard |
7.31893 | 1.00027 | standard |
7.35465 | 0.208251 | standard |
7.3627 | 0.47202 | standard |
7.37072 | 0.380428 | standard |
7.40548 | 0.597778 | standard |
7.41364 | 0.86592 | standard |
7.42178 | 0.36314 | standard |
3.10522 | 0.249811 | standard |
3.11375 | 0.257743 | standard |
3.12039 | 0.30939 | standard |
3.12892 | 0.30297 | standard |
3.25977 | 0.312024 | standard |
3.2649 | 0.315051 | standard |
3.27484 | 0.260445 | standard |
3.28007 | 0.256805 | standard |
3.97123 | 0.289394 | standard |
3.97641 | 0.317146 | standard |
3.97971 | 0.317144 | standard |
3.98489 | 0.289394 | standard |
7.31089 | 0.86051 | standard |
7.31874 | 1.00013 | standard |
7.35514 | 0.214438 | standard |
7.36279 | 0.482139 | standard |
7.3704 | 0.377999 | standard |
7.40588 | 0.596042 | standard |
7.41356 | 0.879491 | standard |
7.42128 | 0.369296 | standard |
3.10592 | 0.251006 | standard |
3.11395 | 0.258837 | standard |
3.12029 | 0.307959 | standard |
3.12833 | 0.301546 | standard |
3.26026 | 0.310718 | standard |
3.2651 | 0.313653 | standard |
3.27464 | 0.262091 | standard |
3.27948 | 0.25863 | standard |
3.97153 | 0.288822 | standard |
3.9765 | 0.317101 | standard |
3.97961 | 0.317099 | standard |
3.98459 | 0.288822 | standard |
7.31111 | 0.864649 | standard |
7.31855 | 1.00003 | standard |
7.35554 | 0.216879 | standard |
7.36281 | 0.487317 | standard |
7.37005 | 0.372382 | standard |
7.40617 | 0.584548 | standard |
7.41351 | 0.886987 | standard |
7.42086 | 0.377688 | standard |
3.10701 | 0.255232 | standard |
3.11435 | 0.263475 | standard |
3.11999 | 0.308392 | standard |
3.12743 | 0.301457 | standard |
3.26105 | 0.310614 | standard |
3.26549 | 0.313553 | standard |
3.27414 | 0.266256 | standard |
3.27858 | 0.26283 | standard |
3.97212 | 0.291486 | standard |
3.9766 | 0.320026 | standard |
3.97942 | 0.319616 | standard |
3.984 | 0.29079 | standard |
7.31147 | 0.882257 | standard |
7.31825 | 1.00004 | standard |
7.35628 | 0.22341 | standard |
7.3629 | 0.496681 | standard |
7.36951 | 0.366008 | standard |
7.40679 | 0.583294 | standard |
7.41344 | 0.896995 | standard |
7.42011 | 0.388758 | standard |
3.10859 | 0.259764 | standard |
3.11484 | 0.267791 | standard |
3.1197 | 0.306207 | standard |
3.12595 | 0.299298 | standard |
3.26234 | 0.308506 | standard |
3.26609 | 0.311448 | standard |
3.27335 | 0.271144 | standard |
3.2771 | 0.267781 | standard |
3.97301 | 0.292152 | standard |
3.9769 | 0.322389 | standard |
3.97922 | 0.322869 | standard |
3.98301 | 0.292982 | standard |
7.31204 | 0.896602 | standard |
7.31777 | 1.00002 | standard |
7.35744 | 0.232844 | standard |
7.36303 | 0.516187 | standard |
7.36864 | 0.354396 | standard |
7.40768 | 0.575648 | standard |
7.41335 | 0.922497 | standard |
7.41903 | 0.407468 | standard |