Predicted GC-MS Spectrum - (1R,2S,5S,6R,9S,10S)-3,6,17,20-Tetrahydroxy-6-(2-hydroxyacetyl)-1,5-dimethylpentacyclo[11.8.0.02,10.05,9.016,21]henicosa-13,16,18,20-tetraen-15-one GC-MS (TMS_2_6) - 70eV, Positive (HMDB0260069)
Spectrum Details
| HMDB ID: | HMDB0260069 |
|---|---|
| Compound Name: | (1R,2S,5S,6R,9S,10S)-3,6,17,20-Tetrahydroxy-6-(2-hydroxyacetyl)-1,5-dimethylpentacyclo[11.8.0.02,10.05,9.016,21]henicosa-13,16,18,20-tetraen-15-one |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC12C(=CC(=O)C3=C(O[Si](C)(C)C)C=CC(O[Si](C)(C)C)=C31)CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - (1R,2S,5S,6R,9S,10S)-3,6,17,20-Tetrahydroxy-6-(2-hydroxyacetyl)-1,5-dimethylpentacyclo[11.8.0.02,10.05,9.016,21]henicosa-13,16,18,20-tetraen-15-one GC-MS (TMS_2_6) - 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: | C25H30O7 |
| Molecular Weight (Monoisotopic Mass): | 442.1992 Da |
| Derivative Type: | TMS_2_6 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC12C(=CC(=O)C3=C(O[Si](C)(C)C)C=CC(O[Si](C)(C)C)=C31)CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 756 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available