Predicted GC-MS Spectrum - GC-MS (3 TMS) - 70eV, Positive (CDB000035)
Spectrum Details
| CDB ID: | CDB000035 |
|---|---|
| Compound Name: | 8,9-Dihydroxy-delta-6a-tetrahydrocannabinol |
| Derivative IUPAC Name: | trimethyl({[(8S,9R)-6,6,9-trimethyl-3-pentyl-8,9-bis[(trimethylsilyl)oxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl]oxy})silane |
| Derivative SMILES: | CCCCCC1=CC2=C(C3=C(C[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)C3)C(C)(C)O2)C(O[Si](C)(C)C)=C1 |
| Derivative InChIKey: | InChIKey=QAPLJLRILGHNLS-BHBYDHKZSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (3 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: | C30H54O4Si3 |
| Molecular Weight (Monoisotopic Mass): | 562.333 Da |
| Derivative Type: | 3 TMS |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCC1=CC2=C(C3=C(C[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)C3)C(C)(C)O2)C(O[Si](C)(C)C)=C1)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 747 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available