Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive (MMDBc0008210)
Spectrum Details
| MiMe ID: | MMDBc0008210 |
|---|---|
| Compound Name: | 6-epi-stemphytriol |
| Derivative IUPAC Name: | (1R,12S,12aS,12bR)-1,4,9,12-tetrahydroxy-12a-[(trimethylsilyl)oxy]-1,2,3,10,11,12,12a,12b-octahydroperylene-3,10-dione |
| Derivative SMILES: | C[Si](C)(C)O[C@@]12C3=C(C(=O)C[C@@H]1O)C(O)=CC=C3C1=CC=C(O)C3=C1[C@@H]2[C@H](O)CC3=O |
| Derivative InChIKey: | InChIKey=RDOMAKHEUARFRT-YHFSLCLQSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - 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: | C20H16O7 |
| Molecular Weight (Monoisotopic Mass): | 368.0896 Da |
| Derivative Type: | TMS_1_3 |
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 | 762 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References