Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0007143)
Spectrum Details
| MiMe ID: | MMDBc0007143 |
|---|---|
| Compound Name: | Aurofusarin |
| Derivative IUPAC Name: | 5-hydroxy-8-methoxy-7-{8-methoxy-2-methyl-4,6,9-trioxo-5-[(trimethylsilyl)oxy]-4H,6H,9H-cyclohexa[g]chromen-7-yl}-2-methyl-4H,6H,9H-cyclohexa[g]chromene-4,6,9-trione |
| Derivative SMILES: | COC1=C(C2=C(OC)C(=O)C3=CC4=C(C(O[Si](C)(C)C)=C3C2=O)C(=O)C=C(C)O4)C(=O)C2=C(C=C3OC(C)=CC(=O)C3=C2O)C1=O |
| Derivative InChIKey: | InChIKey=SNJQHLQPKUWZOH-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C30H18O12 |
| Molecular Weight (Monoisotopic Mass): | 570.0798 Da |
| Derivative Type: | TMS_1_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 | 774 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References