L-(+) Lactic acid
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.13(MHz) | |
| RMSD of the fit | 0.00800 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1 | |
| Note 1 | Oscar Li |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Lactic Acid | Solute | 100mM |
| D2O | Solvent | 100% |
| sodium phosphate | Buffer | 50mM |
| sodium azide | Cytocide | 500uM |
| DSS | Reference | 0.1% |
Spin System Matrix
| 7 | 8 | 9 | 10 | |
|---|---|---|---|---|
| 7 | 1.316 | -12.4 | 0 | 7.028 |
| 8 | 0 | 1.316 | 0 | 7.028 |
| 9 | 0 | 0 | 1.316 | 7.028 |
| 10 | 0 | 0 | 0 | 4.099 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 1.30995 | 1.0 | standard |
| 1.32165 | 1.0 | standard |
| 4.08181 | 0.0850073 | standard |
| 4.09354 | 0.250175 | standard |
| 4.10525 | 0.250172 | standard |
| 4.11702 | 0.0849963 | standard |
| 1.22551 | 0.864631 | standard |
| 1.40067 | 1.0 | standard |
| 3.84468 | 0.101497 | standard |
| 4.01608 | 0.215827 | standard |
| 4.19199 | 0.19357 | standard |
| 4.3707 | 0.0701843 | standard |
| 1.2561 | 0.915358 | standard |
| 1.37309 | 1.00002 | standard |
| 3.92749 | 0.0948443 | standard |
| 4.04374 | 0.229064 | standard |
| 4.16084 | 0.214512 | standard |
| 4.27857 | 0.0741404 | standard |
| 1.27123 | 0.938119 | standard |
| 1.359 | 1.00003 | standard |
| 3.96974 | 0.0918713 | standard |
| 4.0573 | 0.237002 | standard |
| 4.14513 | 0.225579 | standard |
| 4.23315 | 0.0763654 | standard |
| 1.27621 | 0.949871 | standard |
| 1.3543 | 1.00001 | standard |
| 3.98392 | 0.0911923 | standard |
| 4.06185 | 0.238659 | standard |
| 4.13987 | 0.231601 | standard |
| 4.21808 | 0.0773944 | standard |
| 1.28025 | 0.955574 | standard |
| 1.35051 | 1.0 | standard |
| 3.99533 | 0.0905603 | standard |
| 4.06546 | 0.240688 | standard |
| 4.13574 | 0.234921 | standard |
| 4.20607 | 0.0781254 | standard |
| 1.29815 | 0.993809 | standard |
| 1.33325 | 1.0 | standard |
| 4.047 | 0.0849333 | standard |
| 4.08213 | 0.24454 | standard |
| 4.11725 | 0.250604 | standard |
| 4.15242 | 0.0849634 | standard |
| 1.3041 | 0.999999 | standard |
| 1.3275 | 1.0 | standard |
| 4.06435 | 0.0851253 | standard |
| 4.08776 | 0.249804 | standard |
| 4.11126 | 0.249804 | standard |
| 4.13467 | 0.0851263 | standard |
| 1.307 | 1.00025 | standard |
| 1.32455 | 1.00025 | standard |
| 4.07308 | 0.0851043 | standard |
| 4.09067 | 0.250756 | standard |
| 4.10826 | 0.250022 | standard |
| 4.12584 | 0.0851043 | standard |
| 1.30876 | 1.0 | standard |
| 1.32282 | 0.998698 | standard |
| 4.07834 | 0.0850274 | standard |
| 4.09235 | 0.250348 | standard |
| 4.10644 | 0.250345 | standard |
| 4.12049 | 0.0850173 | standard |
| 1.30995 | 1.0 | standard |
| 1.32165 | 1.0 | standard |
| 4.08181 | 0.0850073 | standard |
| 4.09354 | 0.250176 | standard |
| 4.10525 | 0.250173 | standard |
| 4.11702 | 0.0849963 | standard |
| 1.31076 | 0.997442 | standard |
| 1.32086 | 1.0 | standard |
| 4.08429 | 0.0849933 | standard |
| 4.0944 | 0.250754 | standard |
| 4.10442 | 0.250764 | standard |
| 4.11444 | 0.0850324 | standard |
| 1.31114 | 1.0 | standard |
| 1.32046 | 1.0 | standard |
| 4.08538 | 0.0850314 | standard |
| 4.0947 | 0.250729 | standard |
| 4.10406 | 0.249845 | standard |
| 4.11345 | 0.0850033 | standard |
| 1.31143 | 1.0 | standard |
| 1.32019 | 0.996656 | standard |
| 4.08617 | 0.0849943 | standard |
| 4.095 | 0.250727 | standard |
| 4.10376 | 0.249732 | standard |
| 4.11255 | 0.0850083 | standard |
| 1.31193 | 1.0 | standard |
| 1.31969 | 0.995763 | standard |
| 4.08766 | 0.0849973 | standard |
| 4.0955 | 0.250729 | standard |
| 4.10326 | 0.249464 | standard |
| 4.11107 | 0.0850143 | standard |
| 1.31213 | 1.0 | standard |
| 1.31949 | 0.995277 | standard |
| 4.08826 | 0.0849903 | standard |
| 4.09569 | 0.250725 | standard |
| 4.10307 | 0.249314 | standard |
| 4.11047 | 0.0850084 | standard |
| 1.31233 | 1.0 | standard |
| 1.31934 | 0.99476 | standard |
| 4.08885 | 0.0850053 | standard |
| 4.09589 | 0.250722 | standard |
| 4.10293 | 0.250736 | standard |
| 4.10988 | 0.0850624 | standard |
| 1.31262 | 1.0 | standard |
| 1.31897 | 1.0 | standard |
| 4.08984 | 0.0850344 | standard |
| 4.09619 | 0.250724 | standard |
| 4.10257 | 0.248807 | standard |
| 4.10898 | 0.0849944 | standard |
| 1.31312 | 1.0 | standard |
| 1.31848 | 1.0 | standard |
| 4.09123 | 0.0849733 | standard |
| 4.09669 | 0.250724 | standard |
| 4.10204 | 0.250724 | standard |
| 4.1075 | 0.0849733 | standard |