Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive (CDB000415)
Spectrum Details
| CDB ID: | CDB000415 |
|---|---|
| Compound Name: | Delta-9-tetrahydrocannabiorcolic acid |
| Derivative IUPAC Name: | trimethylsilyl (6aS,10aR)-3,6,6,9-tetramethyl-1-[(trimethylsilyl)oxy]-6H,6aH,7H,8H,10aH-benzo[c]isochromene-2-carboxylate |
| Derivative SMILES: | CC1=C[C@H]2C3=C(C=C(C)C(C(=O)O[Si](C)(C)C)=C3O[Si](C)(C)C)OC(C)(C)[C@H]2CC1 |
| Derivative InChIKey: | InChIKey=ORYASEITMSMBFB-MSOLQXFVSA-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: | C24H38O4Si2 |
| Molecular Weight (Monoisotopic Mass): | 446.231 Da |
| Derivative Type: | 2 TMS |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=C[C@H]2C3=C(C=C(C)C(C(=O)O[Si](C)(C)C)=C3O[Si](C)(C)C)OC(C)(C)[C@H]2CC1)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 755 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available