Predicted GC-MS Spectrum - GC-MS (TMS_5_1) - 70eV, Positive (MMDBc0023129)
Spectrum Details
| MiMe ID: | MMDBc0023129 |
|---|---|
| Compound Name: | 2,2'-bis-(7-methyl-1,4,5-trihydroxy-anthracene-9,10-dione) |
| Derivative IUPAC Name: | 4-hydroxy-7,7'-dimethyl-1,1',4',5,5'-pentakis[(trimethylsilyl)oxy]-9H,9'H,10H,10'H-[2,2'-bianthracene]-9,9',10,10'-tetrone |
| Derivative SMILES: | CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=C(C4=CC(O[Si](C)(C)C)=C5C(=O)C6=C(O[Si](C)(C)C)C=C(C)C=C6C(=O)C5=C4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C2=C1 |
| Derivative InChIKey: | InChIKey=ZGDWNKLISOOZCC-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_5_1) - 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: | C30H18O10 |
| Molecular Weight (Monoisotopic Mass): | 538.09 Da |
| Derivative Type: | TMS_5_1 |
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 | 769 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References