Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 70eV, Positive (MMDBc0022266)
Spectrum Details
| MiMe ID: | MMDBc0022266 |
|---|---|
| Compound Name: | 6-dehydroxy-6β-bromogabosine C |
| Derivative IUPAC Name: | (4R,5R,6R)-6-bromo-4-hydroxy-5-[(trimethylsilyl)oxy]-2-{[(trimethylsilyl)oxy]methyl}cyclohex-2-en-1-one |
| Derivative SMILES: | C[Si](C)(C)OCC1=C[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](Br)C1=O |
| Derivative InChIKey: | InChIKey=CTSLCLUWXQZMRV-NTZNESFSSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 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: | C7H9BrO4 |
| Molecular Weight (Monoisotopic Mass): | 235.9684 Da |
| Derivative Type: | TMS_2_4 |
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 | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References