Predicted GC-MS Spectrum - GC-MS (TMS_3_1) - 70eV, Positive (MMDBc0017654)
Spectrum Details
| MiMe ID: | MMDBc0017654 |
|---|---|
| Compound Name: | BCA 11 |
| Derivative IUPAC Name: | 4-methoxy-2-[(5-methyl-2-{6-methyl-7-[(trimethylsilyl)oxy]heptan-2-yl}-5-[(trimethylsilyl)oxy]cyclopent-2-en-1-yl)methyl]-3-[(trimethylsilyl)oxy]cyclohex-2-en-1-one |
| Derivative SMILES: | COC1CCC(=O)C(CC2C(C(C)CCCC(C)CO[Si](C)(C)C)=CCC2(C)O[Si](C)(C)C)=C1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=AQQZUAQCIKMAMJ-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: | C22H36O5 |
| Molecular Weight (Monoisotopic Mass): | 380.2563 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 | 778 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References