Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (T3D3696)
Spectrum Details
| T3DB ID: | T3D3696 |
|---|---|
| Compound Name: | Costaclavine |
| Derivative IUPAC Name: | 4,6-dimethyl-11-(trimethylsilyl)-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(15),9,12(16),13-tetraene |
| Derivative SMILES: | CC1CC2C3=CC=CC4=C3C(=CN4[Si](C)(C)C)CC2N(C)C1 |
| Derivative InChIKey: | InChIKey=LZBNYUSVGMUWCI-UHFFFAOYNA-N |
| 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: | C16H20N2 |
| Molecular Weight (Monoisotopic Mass): | 240.1626 Da |
| Derivative Type: | TMS_1_1 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 766 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References