Hmdb loader
Spectrum Details
Compound Name:Pentazocine
Derivative IUPAC Name:Not Available
Derivative SMILES:CC(C)=CCN1CC[C@@]2(C)C3=CC(O[Si](C)(C)C)=CC=C3C[C@@H]1[C@@H]2C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Pentazocine GC-MS (1 TMS) - 70eV, Positive
Splash Key:splash10-0006-6079000000-3fb9a9a9c86659fbbee2
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:C22H35NOSi
Molecular Weight (Monoisotopic Mass):357.249 Da
Derivative Type:1 TMS
Predicted by CFMID-EI, Ionization energy 70 eV fully TMS-derivatized (structure: CC(C)=CCN1CC[C@@]2(C)C3=CC(O[Si](C)(C)C)=CC=C3C[C@@H]1[C@@H]2C)
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file752 Bytes
Generated list of m/z values for the spectrum (TXT)Download file752 Bytes
mzML formatted file (MZML)Download file4.66 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 ]