Spectrum Details
MiMe ID:MMDBc0028223
Compound Name:6-hydroxymellein
Derivative IUPAC Name:(3R)-3-methyl-6,8-bis[(trimethylsilyl)oxy]-3,4-dihydro-1H-2-benzopyran-1-one
Derivative SMILES:C[C@@H]1CC2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C(=O)O1
Derivative InChIKey:InChIKey=NVRLKVBLUFBXMR-LLVKDONJSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_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:C10H10O4
Molecular Weight (Monoisotopic Mass):194.0579 Da
Derivative Type:TMS_2_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file769 Bytes
mzML formatted file (MZML)Download file4.63 KB
References