Predicted GC-MS Spectrum - GC-MS (TMS_5_1) - 70eV, Positive (MMDBc0008760)
Spectrum Details
| MiMe ID: | MMDBc0008760 |
|---|---|
| Compound Name: | 7-epi-8-hydroxyaltertoxin I |
| Derivative IUPAC Name: | (1R,2R,12aS,12bR)-1,2,4,9,12a-pentakis[(trimethylsilyl)oxy]-1,2,3,10,11,12,12a,12b-octahydroperylene-3,10-dione |
| Derivative SMILES: | C[Si](C)(C)OC1=CC=C2C3=CC=C(O[Si](C)(C)C)C4=C3[C@](O[Si](C)(C)C)(CCC4=O)[C@@H]3C2=C1C(=O)[C@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=CRXNXTKACXGPMZ-KIPVPBBYSA-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: | C20H16O7 |
| Molecular Weight (Monoisotopic Mass): | 368.0896 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 | 772 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References