Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive (CDB000016)
Spectrum Details
| CDB ID: | CDB000016 |
|---|---|
| Compound Name: | Delta-9-tetrahydrocannabinolic acid A |
| Derivative IUPAC Name: | trimethylsilyl (6aR,10aR)-6,6,9-trimethyl-3-pentyl-1-[(trimethylsilyl)oxy]-6H,6aH,7H,8H,10aH-benzo[c]isochromene-2-carboxylate |
| Derivative SMILES: | CCCCCC1=CC2=C(C(O[Si](C)(C)C)=C1C(=O)O[Si](C)(C)C)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2 |
| Derivative InChIKey: | InChIKey=OKVKHUNEGVDZCG-FGZHOGPDSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (2 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: | C28H46O4Si2 |
| Molecular Weight (Monoisotopic Mass): | 502.293 Da |
| Derivative Type: | 2 TMS |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCC1=CC2=C(C(O[Si](C)(C)C)=C1C(=O)O[Si](C)(C)C)[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 | 749 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available