Spectrum Details
MiMe ID:MMDBc0022898
Compound Name:1-(2,2-dimethylchroman-6-yl)-3-(4-hydroxyphenyl)propan-2-one
Derivative IUPAC Name:4-[3-(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-2-[(trimethylsilyl)oxy]prop-2-en-1-yl]phenol
Derivative SMILES:CC1(C)CCC2=CC(C=C(CC3=CC=C(O)C=C3)O[Si](C)(C)C)=CC=C2O1
Derivative InChIKey:InChIKey=PCGZMABBNGDNEP-UHFFFAOYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 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:C20H22O3
Molecular Weight (Monoisotopic Mass):310.1569 Da
Derivative Type:TMS_1_3
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file768 Bytes
mzML formatted file (MZML)Download file4.63 KB
References