Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0018520)
Spectrum Details
| MiMe ID: | MMDBc0018520 |
|---|---|
| Compound Name: | Tramspiroin A |
| Derivative IUPAC Name: | (3S,3aR,4'R,6S,7R,7aS)-3,3',6-trimethyl-4'-[(trimethylsilyl)oxy]-3,3a,4,5,6,7a-hexahydro-2H-spiro[1-benzofuran-7,1'-cyclopentan]-2'-en-2-one |
| Derivative SMILES: | CC1=C[C@@]2(C[C@H]1O[Si](C)(C)C)[C@@H](C)CC[C@@H]1[C@H](C)C(=O)O[C@@H]12 |
| Derivative InChIKey: | InChIKey=CXTUPOGXVBBOTJ-POOLDIJYSA-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: | C15H22O3 |
| Molecular Weight (Monoisotopic Mass): | 250.1569 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 | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References