Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive (MMDBc0025031)
Spectrum Details
| MiMe ID: | MMDBc0025031 |
|---|---|
| Compound Name: | (1S,6S,7R)-aspergilloid E |
| Derivative IUPAC Name: | (2E)-2-{[(1S,2S,6R)-3-methylidene-6-(propan-2-yl)-2-[(trimethylsilyl)oxy]cyclohexyl]methylidene}butanedioic acid |
| Derivative SMILES: | C=C1CC[C@H](C(C)C)[C@@H](/C=C(\CC(=O)O)C(=O)O)[C@@H]1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=MWAMUFSIDQOVJT-PBHCGUEMSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C15H22O5 |
| Molecular Weight (Monoisotopic Mass): | 282.1467 Da |
| Derivative Type: | TMS_1_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 | 773 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References