Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 70eV, Positive (MMDBc0011951)
Spectrum Details
| MiMe ID: | MMDBc0011951 |
|---|---|
| Compound Name: | Sterebin R |
| Derivative IUPAC Name: | (1R,2S,3S,4R,4aS,8aS)-1-[(2Z,4S)-5-hydroxy-3-methyl-4-[(trimethylsilyl)oxy]pent-2-en-1-yl]-2,5,5,8a-tetramethyl-4-[(trimethylsilyl)oxy]-decahydronaphthalene-2,3-diol |
| Derivative SMILES: | C/C(=C/C[C@H]1[C@](C)(O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2C(C)(C)CCC[C@@]21C)[C@@H](CO)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=IZJCJBSPXPNIFE-NCGQWWALSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 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: | C20H36O5 |
| Molecular Weight (Monoisotopic Mass): | 356.2563 Da |
| Derivative Type: | TMS_2_8 |
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 | 773 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References