Predicted GC-MS Spectrum - GC-MS (TMS_2_13) - 70eV, Positive (CHEM028506)
Spectrum Details
| chemdb ID: | CHEM028506 |
|---|---|
| Compound Name: | Maricin |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_13) - 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: | C33H47NO13 |
| Molecular Weight (Monoisotopic Mass): | 665.3047 Da |
| Molecular Weight (Avergae Mass): | 665.7252 Da |
| Derivative Type: | TMS_2_13 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[C@@H]1C/C=C/C=C/C=C/C=C/[C@H](OC2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O[Si](C)(C)C)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@H]3O[C@@H]3/C=C/C(=O)O1)C[C@H](O)[C@H]2C(=O)O[Si](C)(C)C)
Documentation
| Document Description | Download |
|---|---|
| List of m/z values for the spectrum | Download file |
| mzML formatted file | Download file |
References
Not Available