Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive (CDB000025)
Spectrum Details
| CDB ID: | CDB000025 |
|---|---|
| Compound Name: | Cannabicyclolic acid |
| Derivative IUPAC Name: | (1S,9S,12R,14S)-9,13,13-trimethyl-5-pentyl-3-[(trimethylsilyl)oxy]-8-oxatetracyclo[7.4.1.0²,⁷.0¹²,¹⁴]tetradeca-2(7),3,5-triene-4-carboxylic acid |
| Derivative SMILES: | CCCCCC1=CC2=C(C(O[Si](C)(C)C)=C1C(=O)O)[C@H]1[C@@H]3[C@@H](CC[C@]3(C)O2)C1(C)C |
| Derivative InChIKey: | InChIKey=ZMTKKJPZNDDCMN-AQVRWDIJSA-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: | C25H38O4Si |
| Molecular Weight (Monoisotopic Mass): | 430.254 Da |
| Derivative Type: | 1 TMS |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCC1=CC2=C(C(O[Si](C)(C)C)=C1C(=O)O)[C@H]1[C@@H]3[C@@H](CC[C@]3(C)O2)C1(C)C)
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