Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive (CDB000446)
Spectrum Details
| CDB ID: | CDB000446 |
|---|---|
| Compound Name: | 3,4,5,6-Tetrahydro-7-hydroxy-alpha-alpha-2-trimethyl-9-propyl-2,6-methano-2H-1-benzoxocin-5-methanol |
| Derivative IUPAC Name: | trimethyl({[(1R,9R,12R)-9-methyl-5-propyl-12-{2-[(trimethylsilyl)oxy]propan-2-yl}-8-oxatricyclo[7.3.1.0²,⁷]trideca-2(7),3,5-trien-3-yl]oxy})silane |
| Derivative SMILES: | CCCC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@@H]1C[C@@](C)(CC[C@H]1C(C)(C)O[Si](C)(C)C)O2 |
| Derivative InChIKey: | InChIKey=KKVLFKSTJRDNJT-UMEGOILYSA-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: | C25H44O3Si2 |
| Molecular Weight (Monoisotopic Mass): | 448.283 Da |
| Derivative Type: | 2 TMS |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@@H]1C[C@@](C)(CC[C@H]1C(C)(C)O[Si](C)(C)C)O2)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 751 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available