Predicted GC-MS Spectrum - GC-MS (TMS_5_10) - 70eV, Positive (MMDBc0009184)
Spectrum Details
| MiMe ID: | MMDBc0009184 |
|---|---|
| Compound Name: | Hypomycetin |
| Derivative IUPAC Name: | (4aS,12S,12aS)-4,4a,12a-trihydroxy-9-methoxy-11-(3-methylbut-2-en-1-yl)-2,6,7,12-tetrakis[(trimethylsilyl)oxy]-3-{1-[(trimethylsilyl)oxy]ethenyl}-4a,5,12,12a-tetrahydrotetracen-5-one |
| Derivative SMILES: | C=C(O[Si](C)(C)C)C1=C(O)[C@@]2(O)C(=O)C3=C(C(CC=C(C)C)=C4C=C(OC)C=C(O[Si](C)(C)C)C4=C3O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@]2(O)C=C1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=WOPMKLOMFULGOS-YZBUDRBASA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_5_10) - 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: | C26H26O10 |
| Molecular Weight (Monoisotopic Mass): | 498.1526 Da |
| Derivative Type: | TMS_5_10 |
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 | 782 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References