You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Toxin, Toxin Target Database.
Spectrum Details
T3DB ID:T3D4555
Compound Name:Pseudoephedrine
Derivative IUPAC Name:methyl[(1S,2S)-1-phenyl-1-[(trimethylsilyl)oxy]propan-2-yl]amine
Derivative SMILES:CN[C@@H](C)[C@@H](O[Si](C)(C)C)C1=CC=CC=C1
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive
Splash Key:splash10-05cr-4900000000-d9ac11e33b32a9e427ad
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:C13H23NOSi
Molecular Weight (Monoisotopic Mass):237.155 Da
Derivative Type:1 TMS
Predicted by CFMID-EI, Ionization energy 70 eV fully TMS-derivatized (structure: CN[C@@H](C)[C@@H](O[Si](C)(C)C)C1=CC=CC=C1)
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file696 Bytes
Generated list of m/z values for the spectrum (TXT)Download file696 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 ]