Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0012640)
Spectrum Details
| MiMe ID: | MMDBc0012640 |
|---|---|
| Compound Name: | Geodin hydrate |
| Derivative IUPAC Name: | trimethylsilyl 3,5-dichloro-2-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoate |
| Derivative SMILES: | COC(=O)C1=CC(O)=CC(OC)=C1OC1=C(C(=O)O[Si](C)(C)C)C=C(Cl)C(C)=C1Cl |
| Derivative InChIKey: | InChIKey=ARQMSVJXHJPJKX-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C17H14Cl2O7 |
| Molecular Weight (Monoisotopic Mass): | 400.0117 Da |
| Derivative Type: | TMS_1_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 | 785 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References