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 DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file776 Bytes
mzML formatted file (MZML)Download file4.63 KB
References