Spectrum Details
MiMe ID:MMDBc0002294
Compound Name:Ruakuric acid
Derivative IUPAC Name:trimethylsilyl 6-acetyl-5-hydroxy-4-methoxy-3,4-dihydro-2H-1-benzopyran-2-carboxylate
Derivative SMILES:COC1CC(C(=O)O[Si](C)(C)C)OC2=CC=C(C(C)=O)C(O)=C21
Derivative InChIKey:InChIKey=RRFKEAXEUSEKEW-UHFFFAOYNA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 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:C13H14O6
Molecular Weight (Monoisotopic Mass):266.079 Da
Derivative Type:TMS_1_2
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file772 Bytes
mzML formatted file (MZML)Download file4.63 KB
References