Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive (T3D3694)
Spectrum Details
| T3DB ID: | T3D3694 |
|---|---|
| Compound Name: | Elymoclavine |
| Derivative IUPAC Name: | 4-{[(tert-butyldimethylsilyl)oxy]methyl}-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(15),3,9,12(16),13-pentaene |
| Derivative SMILES: | CN1CC(CO[Si](C)(C)C(C)(C)C)=CC2C3=CC=CC4=C3C(=C[NH]4)CC21 |
| Derivative InChIKey: | InChIKey=DHQOSOGECKAKFW-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TBDMS_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: | C16H18N2O |
| Molecular Weight (Monoisotopic Mass): | 254.1419 Da |
| Derivative Type: | TBDMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CN1CC(CO[Si](C)(C)C(C)(C)C)=CC2C3=CC=CC4=C3C(=C[NH]4)CC21)
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 | 4.68 KB |
References
Not Available