Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0015885)
Spectrum Details
| MiMe ID: | MMDBc0015885 |
|---|---|
| Compound Name: | Versiconol |
| Derivative IUPAC Name: | 1,3,6,8-tetrahydroxy-2-[(2S)-1-hydroxy-4-[(trimethylsilyl)oxy]butan-2-yl]-9,10-dihydroanthracene-9,10-dione |
| Derivative SMILES: | C[Si](C)(C)OCC[C@H](CO)C1=C(O)C=C2C(=O)C3=CC(O)=CC(O)=C3C(=O)C2=C1O |
| Derivative InChIKey: | InChIKey=ODDHTFIDTLNXRN-SNVBAGLBSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C18H16O8 |
| Molecular Weight (Monoisotopic Mass): | 360.0845 Da |
| Derivative Type: | TMS_1_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 | 770 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References