Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive (CDB000768)
Spectrum Details
| CDB ID: | CDB000768 |
|---|---|
| Compound Name: | Cannabisin G |
| Derivative IUPAC Name: | (2E,3E)-4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-N-[2-(4-hydroxyphenyl)ethyl]-3-[(Z)-{[2-(4-hydroxyphenyl)ethyl]imino}[(trimethylsilyl)oxy]methyl]but-3-enimidic acid |
| Derivative SMILES: | COC1=CC(/C=C(C(O)=NCCC2=CC=C(O)C=C2)\C(=C/C2=CC=C(O)C(OC)=C2)C(=N\CCC2=CC=C(O)C=C2)\O[Si](C)(C)C)=CC=C1O |
| Derivative InChIKey: | InChIKey=HQKMHXWDVXOEIL-IYAQGSOOSA-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: | C39H44N2O8Si |
| Molecular Weight (Monoisotopic Mass): | 696.287 Da |
| Derivative Type: | 1 TMS |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC(/C=C(C(O)=NCCC2=CC=C(O)C=C2)\C(=C/C2=CC=C(O)C(OC)=C2)C(=N\CCC2=CC=C(O)C=C2)\O[Si](C)(C)C)=CC=C1O)
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