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Consistent Labeled Isotopes
Sadjad F Baygi edited this page Feb 12, 2023
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In addition to naturally distributed isooptes, the IDSL.UFA and IDSL.SUFA workflows are designed to deconvolute molecular formulas and calculate isotopic profiles for the following labelled isotopes. The IDSL.UFA and IDSL.SUFA workflows assume an abundance of 1 for these labeled isotopes when calculating the isotopic profiles. This means that the contribution of the labeled atoms is limited to the mass of the isotopologues, and they do not affect the overall abundance of the molecular species.
| Labeled Isotope | Mass |
|---|---|
| [12]C | 12.000000000000 |
| [13]C | 13.003354835336 |
| [2]H | 2.014101777844 |
| D | 2.014101777844 |
| [35]Cl | 34.96885269 |
| [37]Cl | 36.96590258 |
| [15]N | 15.000108898266 |
| [16]O | 15.994914619257 |
| [17]O | 16.999131755953 |
| [18]O | 17.999159612136 |
| [32]S | 31.9720711744 |
| [33]S | 32.9714589099 |
| [34]S | 33.96786701 |
| [36]S | 35.96708070 |
For instance, try [13]C2C10[37]Cl4Cl2O6 at isotopic profile calculator interface to see the performance of the IDSL.UFA with the isotope-labelled molecular formulas.