Predicted GC-MS Spectrum - (1R)-5-[2-[(1S,7As)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol GC-MS (TMS_3_1) - 70eV, Positive (HMDB0242365)
Spectrum Details
| HMDB ID: | HMDB0242365 |
|---|---|
| Compound Name: | (1R)-5-[2-[(1S,7As)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)OCCC(C)(C)O[Si](C)(C)C)CC(O[Si](C)(C)C)CC1O[Si](C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - (1R)-5-[2-[(1S,7As)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol GC-MS (TMS_3_1) - 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: | C26H42O4 |
| Molecular Weight (Monoisotopic Mass): | 418.3083 Da |
| Derivative Type: | TMS_3_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)OCCC(C)(C)O[Si](C)(C)C)CC(O[Si](C)(C)C)CC1O[Si](C)(C)C)
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