Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0001998)
Spectrum Details
| MiMe ID: | MMDBc0001998 |
|---|---|
| Compound Name: | Alpha,alpha,6-Trimethyl-4-(3-hydroxy-5-methylphenoxy)-2,3-dihydrobenzofuran-2beta-methanol |
| Derivative IUPAC Name: | 3-methyl-5-{[(2R)-6-methyl-2-{2-[(trimethylsilyl)oxy]propan-2-yl}-2,3-dihydro-1-benzofuran-4-yl]oxy}phenol |
| Derivative SMILES: | CC1=CC(O)=CC(OC2=CC(C)=CC3=C2C[C@H](C(C)(C)O[Si](C)(C)C)O3)=C1 |
| Derivative InChIKey: | InChIKey=JTKIBZYOGZKWES-OAQYLSRUSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C19H22O4 |
| Molecular Weight (Monoisotopic Mass): | 314.1518 Da |
| Derivative Type: | TMS_1_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 | 773 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References