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Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive (M2MDB003558)
Spectrum Details
| ECMDB ID: | ECMDB23168 |
|---|---|
| Compound Name: | CoA |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive |
| Splash Key: | Not Available |
| Notes: | This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification. |
Spectrum View
Experimental Conditions
| Ionization Mode: | Positive |
|---|---|
| Ionization Energy: | 70 eV |
| Chromatography Type: | Gas Chromatography Column (GC) |
| Instrument Type: | Single quadrupole, spectrum predicted by CFM-ID(EI) |
| Mass Resolution: | 0.0001 Da |
| Molecular Formula: | C21H36N7O16P3S |
| Molecular Weight (Monoisotopic Mass): | 767.1152 Da |
| Molecular Weight (Avergae Mass): | 767.534 Da |
| Derivative Type: | TMS_1_5 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)NCCS)
Documentation
| Document Description | Download |
|---|---|
| List of m/z values for the spectrum | Download file |
References
Not Available