Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive (MMDBc0011231)
Spectrum Details
| MiMe ID: | MMDBc0011231 |
|---|---|
| Compound Name: | Sterenin J |
| Derivative IUPAC Name: | 4-{4-hydroxy-2-methyl-6-[(trimethylsilyl)oxy]benzoyloxy}-6-methyl-2-{2-[(trimethylsilyl)oxy]propan-2-yl}-2,3-dihydro-1-benzofuran-7-carboxylic acid |
| Derivative SMILES: | CC1=CC(O)=CC(O[Si](C)(C)C)=C1C(=O)OC1=CC(C)=C(C(=O)O)C2=C1CC(C(C)(C)O[Si](C)(C)C)O2 |
| Derivative InChIKey: | InChIKey=YYCVWNQFDHNWOA-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C21H22O8 |
| Molecular Weight (Monoisotopic Mass): | 402.1315 Da |
| Derivative Type: | TMS_2_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 | 764 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References