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Spectrum Details
T3DB ID:Not Available
Compound Name:Not Available
Derivative IUPAC Name:1-[4-(4-tert-butylphenyl)-4-[(trimethylsilyl)oxy]butyl]-4-{diphenyl[(trimethylsilyl)oxy]methyl}piperidine
Derivative SMILES:CC(C)(C)C1=CC=C(C(CCCN2CCC(C(O[Si](C)(C)C)(C3=CC=CC=C3)C3=CC=CC=C3)CC2)O[Si](C)(C)C)C=C1
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive
Splash Key:splash10-0a4i-1091031000-8a395a9531e2fce637a4
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:C38H57NO2Si2
Molecular Weight (Monoisotopic Mass):615.393 Da
Derivative Type:2 TMS
Predicted by CFMID-EI, Ionization energy 70 eV fully TMS-derivatized (structure: CC(C)(C)C1=CC=C(C(CCCN2CCC(C(O[Si](C)(C)C)(C3=CC=CC=C3)C3=CC=CC=C3)CC2)O[Si](C)(C)C)C=C1)
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file756 Bytes
Generated list of m/z values for the spectrum (TXT)Download file756 Bytes
mzML formatted file (MZML)Download file4.64 KB
  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 ]