Predicted GC-MS Spectrum - GC-MS (3 TMS) - 70eV, Positive (CDB000222)
Spectrum Details
| CDB ID: | CDB000222 |
|---|---|
| Compound Name: | Blumenol a |
| Derivative IUPAC Name: | trimethyl({[(2R,3E)-4-[(1R)-2,6,6-trimethyl-1,4-bis[(trimethylsilyl)oxy]cyclohexa-2,4-dien-1-yl]but-3-en-2-yl]oxy})silane |
| Derivative SMILES: | CC1=CC(O[Si](C)(C)C)=CC(C)(C)[C@]1(/C=C/[C@@H](C)O[Si](C)(C)C)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=UZXMOAMRJRSTAD-FHFXGYIMSA-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: | C22H44O3Si3 |
| Molecular Weight (Monoisotopic Mass): | 440.26 Da |
| Derivative Type: | 3 TMS |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=CC(O[Si](C)(C)C)=CC(C)(C)[C@]1(/C=C/[C@@H](C)O[Si](C)(C)C)O[Si](C)(C)C)
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