Predicted GC-MS Spectrum - Binaltorphimine GC-MS (TMS_3_2) - 70eV, Positive (HMDB0249215)
Spectrum Details
| HMDB ID: | HMDB0249215 |
|---|---|
| Compound Name: | Binaltorphimine |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CN1C2=C(CC3(O)C4CC5=CC=C(O[Si](C)(C)C)C6=C5C3(CCN4CC3CC3)C2O6)C2=C1C1OC3=C(O[Si](C)(C)C)C=CC4=C3C13CCN(CC1CC1)C(C4)C3(O[Si](C)(C)C)C2 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Binaltorphimine GC-MS (TMS_3_2) - 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: | C41H45N3O6 |
| Molecular Weight (Monoisotopic Mass): | 675.3308 Da |
| Derivative Type: | TMS_3_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CN1C2=C(CC3(O)C4CC5=CC=C(O[Si](C)(C)C)C6=C5C3(CCN4CC3CC3)C2O6)C2=C1C1OC3=C(O[Si](C)(C)C)C=CC4=C3C13CCN(CC1CC1)C(C4)C3(O[Si](C)(C)C)C2)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 750 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available