Predicted GC-MS Spectrum - GC-MS (TMS_4_2) - 70eV, Positive (MMDBc0005999)
Spectrum Details
| MiMe ID: | MMDBc0005999 |
|---|---|
| Compound Name: | Sterebin Q3 |
| Derivative IUPAC Name: | (1R,2S,3S,4R,4aS,8aS)-1-[(1Z,3S,4R)-5-hydroxy-3-methyl-3,4-bis[(trimethylsilyl)oxy]pent-1-en-1-yl]-2,5,5,8a-tetramethyl-3,4-bis[(trimethylsilyl)oxy]-decahydronaphthalen-2-ol |
| Derivative SMILES: | CC1(C)CCC[C@@]2(C)[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@](C)(O)[C@@H]2/C=C/[C@](C)(O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=GMECNLVSXUGRJK-OGAKWBBLSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_2) - 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: | C20H36O6 |
| Molecular Weight (Monoisotopic Mass): | 372.2512 Da |
| Derivative Type: | TMS_4_2 |
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 | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References