Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (T3D0870)
Spectrum Details
| T3DB ID: | T3D0870 |
|---|---|
| Compound Name: | 2,3,5,6-Tetrachlorophenol |
| Derivative IUPAC Name: | trimethyl(2,3,5,6-tetrachlorophenoxy)silane |
| Derivative SMILES: | C[Si](C)(C)OC1=C(Cl)C(Cl)=CC(Cl)=C1Cl |
| Derivative InChIKey: | InChIKey=UFFJVPMHORSDHM-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: | C6H2Cl4O |
| Molecular Weight (Monoisotopic Mass): | 229.886 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 | 766 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References