Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0008565)
Spectrum Details
| MiMe ID: | MMDBc0008565 |
|---|---|
| Compound Name: | Sporogen-AO 1 |
| Derivative IUPAC Name: | (1aR,6R,7R,7aR,7bR)-7,7a-dimethyl-1a-(prop-1-en-2-yl)-6-[(trimethylsilyl)oxy]-1aH,2H,4H,5H,6H,7H,7aH,7bH-naphtho[1,2-b]oxiren-2-one |
| Derivative SMILES: | C=C(C)[C@@]12O[C@@H]1[C@@]1(C)C(=CC2=O)CC[C@@H](O[Si](C)(C)C)[C@@H]1C |
| Derivative InChIKey: | InChIKey=ZKWKMRKEGOLPKF-GWDXOCJHSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C15H20O3 |
| Molecular Weight (Monoisotopic Mass): | 248.1412 Da |
| Derivative Type: | TMS_1_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 | 765 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References