Predicted GC-MS Spectrum - GC-MS (3 TMS) - 70eV, Positive (CDB000748)
Spectrum Details
| CDB ID: | CDB000748 |
|---|---|
| Compound Name: | 4,7-Dimethoxy-1,2,5-trihydroxyphenanthrene |
| Derivative IUPAC Name: | ({2,5-dimethoxy-7,8-bis[(trimethylsilyl)oxy]phenanthren-4-yl}oxy)trimethylsilane |
| Derivative SMILES: | COC1=CC(O[Si](C)(C)C)=C2C(=C1)C=CC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(OC)=C12 |
| Derivative InChIKey: | InChIKey=OJFWUMKLOVBUPO-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (3 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: | C25H38O5Si3 |
| Molecular Weight (Monoisotopic Mass): | 502.203 Da |
| Derivative Type: | 3 TMS |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC(O[Si](C)(C)C)=C2C(=C1)C=CC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(OC)=C12)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 745 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available