Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive (CDB000019)
Spectrum Details
| CDB ID: | CDB000019 |
|---|---|
| Compound Name: | Delta-9-tetrahydrocannabinol-C4 |
| Derivative IUPAC Name: | {[(6aR,10aR)-3-butyl-6,6,9-trimethyl-6H,6aH,7H,8H,10aH-benzo[c]isochromen-1-yl]oxy}trimethylsilane |
| Derivative SMILES: | CCCCC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2 |
| Derivative InChIKey: | InChIKey=SKCJCBKOCFNRRR-RTBURBONSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 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: | C23H36O2Si |
| Molecular Weight (Monoisotopic Mass): | 372.248 Da |
| Derivative Type: | 1 TMS |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 744 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available