Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive (MMDBc0021751)
Spectrum Details
| MiMe ID: | MMDBc0021751 |
|---|---|
| Compound Name: | Isosecosterigmatocystin |
| Derivative IUPAC Name: | 8-hydroxy-1-methoxy-4-[(2S,3S)-1,3,4-trihydroxybutan-2-yl]-3-[(trimethylsilyl)oxy]-9H-xanthen-9-one |
| Derivative SMILES: | COC1=CC(O[Si](C)(C)C)=C([C@@H](CO)[C@H](O)CO)C2=C1C(=O)C1=C(O)C=CC=C1O2 |
| Derivative InChIKey: | InChIKey=MTOLOZILAJTZOG-WCQYABFASA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 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: | C18H18O8 |
| Molecular Weight (Monoisotopic Mass): | 362.1002 Da |
| Derivative Type: | TMS_1_5 |
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 | 770 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References