Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 70eV, Positive (MMDBc0003313)
Spectrum Details
| MiMe ID: | MMDBc0003313 |
|---|---|
| Compound Name: | BCA 8 |
| Derivative IUPAC Name: | 3,4-dihydroxy-2-({5-hydroxy-5-methyl-2-[(2Z,5E)-6-methyl-7-[(trimethylsilyl)oxy]hepta-2,5-dien-2-yl]cyclopent-2-en-1-yl}methyl)cyclohex-2-en-1-one |
| Derivative SMILES: | C/C(=C/C/C=C(\C)CO[Si](C)(C)C)C1=CCC(C)(O)C1CC1=C(O)C(O)CCC1=O |
| Derivative InChIKey: | InChIKey=OQEVZXDXXMWLCL-WIBPKFNENA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 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: | C21H30O5 |
| Molecular Weight (Monoisotopic Mass): | 362.2093 Da |
| Derivative Type: | TMS_1_4 |
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 | 774 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References