Spectrum Details
CDB ID:CDB006402
Compound Name:N-cis-Feruloyltyramine
Derivative IUPAC Name:trimethylsilyl (Z,2Z)-3-{3-methoxy-4-[(trimethylsilyl)oxy]phenyl}-N-(2-{4-[(trimethylsilyl)oxy]phenyl}ethyl)prop-2-enimidate
Derivative SMILES:COC1=CC(/C=C\C(=N\CCC2=CC=C(O[Si](C)(C)C)C=C2)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C
Derivative InChIKey:InChIKey=UCQFRTVLSUESDE-HFUKHAKNSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (3 TMS) - 70eV, Positive
Splash Key:splash10-044i-2303390000-593dc157920ba7f3729f
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:C27H43NO4Si3
Molecular Weight (Monoisotopic Mass):529.25 Da
Derivative Type:3 TMS
Notes
Predicted by CFMID-EI, Ionization energy 70 eV fully TMS-derivatized (structure: COC1=CC(/C=C\C(=N\CCC2=CC=C(O[Si](C)(C)C)C=C2)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file755 Bytes
Generated list of m/z values for the spectrum (TXT)Download file755 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
  1. Allen F, Pon A, Greiner R, Wishart D: Computational Prediction of Electron Ionization Mass Spectra to Assist in GC/MS Compound Identification. Anal Chem. 2016 Aug 2;88(15):7689-97. doi: 10.1021/acs.analchem.6b01622. Epub 2016 Jul 21. [PubMed: 27381172 ]