Predicted GC-MS Spectrum - GC-MS (TMS_4_9) - 70eV, Positive (MMDBc0007194)
Spectrum Details
| MiMe ID: | MMDBc0007194 |
|---|---|
| Compound Name: | BCA 6 |
| Derivative IUPAC Name: | 2-[(2-{6-hydroxy-6-methyl-5-[(trimethylsilyl)oxy]heptan-2-yl}-5-methyl-5-[(trimethylsilyl)oxy]cyclopent-2-en-1-yl)methyl]-3,6-bis[(trimethylsilyl)oxy]cyclohexa-1,3-dien-1-ol |
| Derivative SMILES: | CC(CCC(O[Si](C)(C)C)C(C)(C)O)C1=CCC(C)(O[Si](C)(C)C)C1CC1=C(O)C(O[Si](C)(C)C)CC=C1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=RTSODWFFFLDLRV-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_9) - 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: | C21H34O6 |
| Molecular Weight (Monoisotopic Mass): | 382.2355 Da |
| Derivative Type: | TMS_4_9 |
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 | 778 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References