Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0011166)
Spectrum Details
| MiMe ID: | MMDBc0011166 |
|---|---|
| Compound Name: | Pheofungin D |
| Derivative IUPAC Name: | 4,8-dihydroxy-1,10-dimethyl-3-{4-methyl-2,6-bis[(trimethylsilyl)oxy]phenoxy}-6,7-dihydro-5-oxa-12-thia-7-azatetraphen-6-one |
| Derivative SMILES: | CC1=CC(O[Si](C)(C)C)=C(OC2=CC(C)=C3C4=C(NC5=C(O)C=C(C)C=C5S4)C(=O)OC3=C2O)C(O[Si](C)(C)C)=C1 |
| Derivative InChIKey: | InChIKey=AJKPHYYYLHMJIS-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C24H19NO7S |
| Molecular Weight (Monoisotopic Mass): | 465.0882 Da |
| Derivative Type: | TMS_2_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 | 778 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References