Predicted GC-MS Spectrum - GC-MS (TMS_3_3) - 70eV, Positive (MMDBc0018243)
Spectrum Details
| MiMe ID: | MMDBc0018243 |
|---|---|
| Compound Name: | Pestaloficiol D |
| Derivative IUPAC Name: | 2-[(2'R,6S,7R,8R)-2,2-dimethyl-4,6,7-tris[(trimethylsilyl)oxy]-2,5,6,7-tetrahydrospiro[chromene-8,1'-cyclopropan]-2'-yl]propan-2-ol |
| Derivative SMILES: | CC1(C)C=C(O[Si](C)(C)C)C2=C(O1)[C@@]1(C[C@H]1C(C)(C)O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C2 |
| Derivative InChIKey: | InChIKey=IYNPZIZGOSWGJT-ACYIZFCASA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_3) - 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: | C16H24O5 |
| Molecular Weight (Monoisotopic Mass): | 296.1624 Da |
| Derivative Type: | TMS_3_3 |
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 | 772 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References