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Consistent Labeled Isotopes
Sadjad F Baygi edited this page Jan 6, 2023
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The IDSL.UFA and IDSL.SUFA workflows are consistent with the following isotope labels to deconvolute molecular fromulas and calculate isotopic profiles. Please note these workflows assume an abundance of 1 to calculate the isotopic profiles and labelled atoms only contribute to the mass of isotopologues.
| Labeled Isotope | Mass |
|---|---|
| [12]C | 12 |
| [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.