Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 70eV, Positive (MMDBc0000897)
Spectrum Details
| MiMe ID: | MMDBc0000897 |
|---|---|
| Compound Name: | BCA 1 |
| Derivative IUPAC Name: | 2-{[5-hydroxy-2-(7-hydroxy-6-methylheptan-2-yl)-5-methylcyclopent-2-en-1-yl]methyl}-3,4-bis[(trimethylsilyl)oxy]cyclohex-2-en-1-one |
| Derivative SMILES: | CC(CO)CCCC(C)C1=CCC(C)(O)C1CC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)CCC1=O |
| Derivative InChIKey: | InChIKey=AZGOFZRBWIBHAQ-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 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: | C21H34O5 |
| Molecular Weight (Monoisotopic Mass): | 366.2406 Da |
| Derivative Type: | TMS_2_8 |
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 | 779 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References