Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive (MMDBc0001178)
Spectrum Details
| MiMe ID: | MMDBc0001178 |
|---|---|
| Compound Name: | Pheofungin B |
| Derivative IUPAC Name: | 3,4-dihydroxy-1,10-dimethyl-7-(trimethylsilyl)-8-[(trimethylsilyl)oxy]-6,7-dihydro-5-oxa-12-thia-7-azatetraphen-6-one |
| Derivative SMILES: | CC1=CC(O[Si](C)(C)C)=C2C(=C1)SC1=C(C(=O)OC3=C(O)C(O)=CC(C)=C13)N2[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=KJHDQMMABYCTJW-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 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: | C17H13NO5S |
| Molecular Weight (Monoisotopic Mass): | 343.0514 Da |
| Derivative Type: | TMS_2_3 |
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