Predicted GC-MS Spectrum - GC-MS (TMS_3_13) - 70eV, Positive (MMDBc0016856)
Spectrum Details
| MiMe ID: | MMDBc0016856 |
|---|---|
| Compound Name: | 24-α-D-glucosyl-(-)-terpestacin |
| Derivative IUPAC Name: | (3aR,7S,16aS)-3-[(2S)-1-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-2-yl]oxy}propan-2-yl]-7-hydroxy-6,10,14,16a-tetramethyl-2-[(trimethylsilyl)oxy]-1H,3aH,4H,7H,8H,9H,12H,13H,16H,16aH-cyclopenta[15]annulen-1-one |
| Derivative SMILES: | C/C1=C\C[C@]2(C)C(=O)C(O[Si](C)(C)C)=C([C@H](C)CO[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@H]2C/C=C(\C)[C@@H](O)CC/C(C)=C/CC1 |
| Derivative InChIKey: | InChIKey=HYOSTXKGPDBZIE-OKMUZISHSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_13) - 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: | C31H48O9 |
| Molecular Weight (Monoisotopic Mass): | 564.3298 Da |
| Derivative Type: | TMS_3_13 |
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 | 778 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References