Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (MMDBc0005377)
Spectrum Details
| MiMe ID: | MMDBc0005377 |
|---|---|
| Compound Name: | BCA 2 |
| Derivative IUPAC Name: | 3-hydroxy-2-({2-[(5E)-7-hydroxy-6-methylhept-5-en-2-yl]-5-methyl-5-[(trimethylsilyl)oxy]cyclopent-2-en-1-yl}methyl)-4-[(trimethylsilyl)oxy]cyclohex-2-en-1-one |
| Derivative SMILES: | C/C(=C\CCC(C)C1=CCC(C)(O[Si](C)(C)C)C1CC1=C(O)C(O[Si](C)(C)C)CCC1=O)CO |
| Derivative InChIKey: | InChIKey=CGOJUHGYFYPEJI-YBFXNURJNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 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: | C21H32O5 |
| Molecular Weight (Monoisotopic Mass): | 364.225 Da |
| Derivative Type: | TMS_2_2 |
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 | 773 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References