Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0055970)
Spectrum Details
| MiMe ID: | MMDBc0055970 |
|---|---|
| Compound Name: | epoxybetaenone |
| Derivative IUPAC Name: | (2Z)-3-[(1aS,2R,3R,3aS,4R,6S,7aS,7bR)-2-[(2R)-butan-2-yl]-1a,3,4,6-tetramethyl-decahydronaphtho[1,2-b]oxiren-3-yl]-3-[(trimethylsilyl)oxy]prop-2-enal |
| Derivative SMILES: | CC[C@@H](C)[C@H]1[C@]2(C)O[C@@H]2[C@H]2C[C@@H](C)C[C@@H](C)[C@@H]2[C@@]1(C)/C(=C/C=O)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=FCSGWTIRXNUKSX-QMMNVNNKSA-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: | C21H34O3 |
| Molecular Weight (Monoisotopic Mass): | 334.2508 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 | 773 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References