Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (T3D3694)
Spectrum Details
| T3DB ID: | T3D3694 |
|---|---|
| Compound Name: | Elymoclavine |
| Derivative IUPAC Name: | [6-methyl-11-(trimethylsilyl)-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(15),3,9,12(16),13-pentaen-4-yl]methanol |
| Derivative SMILES: | CN1CC(CO)=CC2C3=CC=CC4=C3C(=CN4[Si](C)(C)C)CC21 |
| Derivative InChIKey: | InChIKey=KRXXMZUNOGRQEF-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C16H18N2O |
| Molecular Weight (Monoisotopic Mass): | 254.1419 Da |
| Derivative Type: | TMS_1_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CN1CC(CO)=CC2C3=CC=CC4=C3C(=CN4[Si](C)(C)C)CC21)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 748 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available