Predicted GC-MS Spectrum - GC-MS (TMS_3_1) - 70eV, Positive (MMDBc0023447)
Spectrum Details
| MiMe ID: | MMDBc0023447 |
|---|---|
| Compound Name: | 4-dihydrocyclofarnesine T |
| Derivative IUPAC Name: | 2,2-dimethyl-3-{3-methyl-5-[(trimethylsilyl)oxy]penta-1,3-dien-1-yl}-5-[(trimethylsilyl)oxy]-4-{[(trimethylsilyl)oxy]methyl}cyclohex-3-en-1-ol |
| Derivative SMILES: | CC(C=CC1=C(CO[Si](C)(C)C)C(O[Si](C)(C)C)CC(O)C1(C)C)=CCO[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=FNWMTWZBGXHHKP-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_1) - 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: | C15H24O4 |
| Molecular Weight (Monoisotopic Mass): | 268.1675 Da |
| Derivative Type: | TMS_3_1 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 781 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References