Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive (CDB000737)
Spectrum Details
| CDB ID: | CDB000737 |
|---|---|
| Compound Name: | Denbinobin (5-hydroxy-3,7-dimethoxy-1,4-phenanthrenequinone) |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | COC1=CC(=O)C2=CC=C3C=C(OC)C=C(O[Si](C)(C)C)C3=C2C1=O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 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: | C19H20O5Si |
| Molecular Weight (Monoisotopic Mass): | 356.108 Da |
| Derivative Type: | 1 TMS |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC(=O)C2=CC=C3C=C(OC)C=C(O[Si](C)(C)C)C3=C2C1=O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 747 Bytes |
| mzML formatted file (MZML) | Download file | 4.69 KB |
References
Not Available