Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (MMDBc0002036)
Spectrum Details
| MiMe ID: | MMDBc0002036 |
|---|---|
| Compound Name: | Pestaloficiol I |
| Derivative IUPAC Name: | 2-[(6S,6aR,8S)-2,2-dimethyl-4,6-bis[(trimethylsilyl)oxy]-2H,5H,6H,6aH,8H-furo[2,3-h]chromen-8-yl]propan-2-ol |
| Derivative SMILES: | CC1(C)C=C(O[Si](C)(C)C)C2=C(O1)C1=C[C@@H](C(C)(C)O)O[C@H]1[C@@H](O[Si](C)(C)C)C2 |
| Derivative InChIKey: | InChIKey=BJYHMZIDKUQXNS-XKGZKEIXSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 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: | C16H22O5 |
| Molecular Weight (Monoisotopic Mass): | 294.1467 Da |
| Derivative Type: | TMS_2_2 |
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 | 774 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References