Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive (CDB000435)
Spectrum Details
| CDB ID: | CDB000435 |
|---|---|
| Compound Name: | Cannabitriol |
| Derivative IUPAC Name: | (9S,10S)-6,6,9-trimethyl-3-pentyl-9-[(trimethylsilyl)oxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromene-1,10-diol |
| Derivative SMILES: | CCCCCC1=CC(O)=C2C3=C(CC[C@](C)(O[Si](C)(C)C)[C@H]3O)C(C)(C)OC2=C1 |
| Derivative InChIKey: | InChIKey=PPNNVPVHINCGIF-UPVQGACJSA-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: | C24H38O4Si |
| Molecular Weight (Monoisotopic Mass): | 418.254 Da |
| Derivative Type: | 1 TMS |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCC1=CC(O)=C2C3=C(CC[C@](C)(O[Si](C)(C)C)[C@H]3O)C(C)(C)OC2=C1)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 746 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available