Spectrum Details
MiMe ID:MMDBc0000174
Compound Name:Ferulic acid
Derivative IUPAC Name:(2E)-3-{3-methoxy-4-[(trimethylsilyl)oxy]phenyl}prop-2-enoic acid
Derivative SMILES:COC1=CC(/C=C/C(=O)O)=CC=C1O[Si](C)(C)C
Derivative InChIKey:InChIKey=RRETWDLDTUWVJT-SOFGYWHQSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_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_1_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC(/C=C/C(=O)O)=CC=C1O[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file749 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available