Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0055095)
Spectrum Details
| MiMe ID: | MMDBc0055095 |
|---|---|
| Compound Name: | 1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol |
| Derivative IUPAC Name: | 4-(3,4-dimethoxyphenyl)-5-(2-methoxyphenoxy)-2,2,8,8-tetramethyl-3,7-dioxa-2,8-disilanonane |
| Derivative SMILES: | COC1=CC=C(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2=CC=CC=C2OC)C=C1OC |
| Derivative InChIKey: | InChIKey=USDOHGORWONZJW-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C18H22O6 |
| Molecular Weight (Monoisotopic Mass): | 334.1416 Da |
| Derivative Type: | TMS_2_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 | 772 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References