Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0021787)
Spectrum Details
| MiMe ID: | MMDBc0021787 |
|---|---|
| Compound Name: | Higginsianin A |
| Derivative IUPAC Name: | 3-{[(2S,3aR,5aR,6R,9aR,9bS)-3a,5a,9b-trimethyl-7-methylidene-2-(2-methylprop-1-en-1-yl)-dodecahydronaphtho[2,1-b]furan-6-yl]methyl}-5,6-dimethyl-4-[(trimethylsilyl)oxy]-2H-pyran-2-one |
| Derivative SMILES: | C=C1CC[C@H]2[C@]3(C)C[C@@H](C=C(C)C)O[C@]3(C)CC[C@]2(C)[C@@H]1CC1=C(O[Si](C)(C)C)C(C)=C(C)OC1=O |
| Derivative InChIKey: | InChIKey=ZGHPEZYASGBILN-RUQYEABFSA-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: | C28H40O4 |
| Molecular Weight (Monoisotopic Mass): | 440.2927 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 | 780 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References