Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (CHEM019326)
Spectrum Details
| chemdb ID: | CHEM019326 |
|---|---|
| Compound Name: | Trabectedin |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 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: | C39H43N3O11S |
| Molecular Weight (Monoisotopic Mass): | 761.2618 Da |
| Molecular Weight (Avergae Mass): | 761.837 Da |
| Derivative Type: | TMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC2=C(C=C1O[Si](C)(C)C)CCN[C@]21CS[C@@H]2C3=C(C4=C(OCO4)C(C)=C3OC(C)=O)[C@H](COC1=O)N1[C@@H](O)[C@@H]3CC4=CC(C)=C(OC)C(O)=C4[C@H]([C@H]21)N3C)
Documentation
| Document Description | Download |
|---|---|
| List of m/z values for the spectrum | Download file |
| mzML formatted file | Download file |
References
Not Available