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Spectrum Details
FooDB ID:FDB001442
Compound Name:(-)-Arctigenin
Derivative IUPAC Name:Not Available
Derivative SMILES:COC1=CC=C(C[C@H]2COC(=O)[C@@H]2CC2=CC=C(O[Si](C)(C)C)C(OC)=C2)C=C1OC
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive
Splash Key:splash10-0kor-3973800000-2347d0d35e64e75b2b49
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:C24H32O6Si
Molecular Weight (Monoisotopic Mass):444.197 Da
Derivative Type:1 TMS
Predicted by CFMID-EI, Ionization energy 70 eV fully TMS-derivatized (structure: COC1=CC=C(C[C@H]2COC(=O)[C@@H]2CC2=CC=C(O[Si](C)(C)C)C(OC)=C2)C=C1OC)
Document DescriptionDownload
List of m/z values for the spectrumDownload file
Generated list of m/z values for the spectrumDownload file
mzML formatted fileDownload file
  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 ]