Predicted GC-MS Spectrum - 5,7,11-trihydroxy-15-methyl-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-2-carbaldehyde GC-MS (TMS_2_3) - 70eV, Positive (HMDB0173556)
Spectrum Details
| HMDB ID: | HMDB0173556 |
|---|---|
| Compound Name: | 5,7,11-trihydroxy-15-methyl-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-2-carbaldehyde |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC12CCC3C(CCC4(O)CC(O[Si](C)(C)C)CCC34C=O)C1(O[Si](C)(C)C)CCC2C1=CC(=O)OC1 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - 5,7,11-trihydroxy-15-methyl-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-2-carbaldehyde GC-MS (TMS_2_3) - 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: | C23H32O6 |
| Molecular Weight (Monoisotopic Mass): | 404.2199 Da |
| Derivative Type: | TMS_2_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC12CCC3C(CCC4(O)CC(O[Si](C)(C)C)CCC34C=O)C1(O[Si](C)(C)C)CCC2C1=CC(=O)OC1)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 761 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available