Predicted GC-MS Spectrum - (2R,3S,4As,7R,8R,8aS)-2,3,4'-trihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-6',7'-dicarbaldehyde GC-MS (TMS_1_3) - 70eV, Positive (HMDB0260124)
Spectrum Details
| HMDB ID: | HMDB0260124 |
|---|---|
| Compound Name: | (2R,3S,4As,7R,8R,8aS)-2,3,4'-trihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-6',7'-dicarbaldehyde |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC1CCC2C(C)(C)C(O)C(O)CC2(C)C12CC1=C(O[Si](C)(C)C)C=C(C=O)C(C=O)=C1O2 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - (2R,3S,4As,7R,8R,8aS)-2,3,4'-trihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-6',7'-dicarbaldehyde GC-MS (TMS_1_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: | C23H30O6 |
| Molecular Weight (Monoisotopic Mass): | 402.2042 Da |
| Derivative Type: | TMS_1_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1CCC2C(C)(C)C(O)C(O)CC2(C)C12CC1=C(O[Si](C)(C)C)C=C(C=O)C(C=O)=C1O2)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 754 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available