Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0004281)
Spectrum Details
| MiMe ID: | MMDBc0004281 |
|---|---|
| Compound Name: | 4,6,2’,4’,6’-Pentabromo-3,3’-dihydroxy-5,5’-dimethyldiphenyl Ether |
| Derivative IUPAC Name: | 2,4,6-tribromo-3-{2,4-dibromo-3-methyl-5-[(trimethylsilyl)oxy]phenoxy}-5-methylphenol |
| Derivative SMILES: | CC1=C(Br)C(OC2=C(Br)C(C)=C(Br)C(O)=C2Br)=CC(O[Si](C)(C)C)=C1Br |
| Derivative InChIKey: | InChIKey=DXCGLSXUFISAPA-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: | C14H9Br5O3 |
| Molecular Weight (Monoisotopic Mass): | 619.6469 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 | 786 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References