Spectrum Details
T3DB ID:T3D2478
Compound Name:Levofloxacin
Derivative IUPAC Name:trimethylsilyl (2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.0⁵,¹³]trideca-5(13),6,8,11-tetraene-11-carboxylate
Derivative SMILES:C[C@H]1COC2=C3C(=CC(F)=C2N2CCN(C)CC2)C(=O)C(C(=O)O[Si](C)(C)C)=CN31
Derivative InChIKey:InChIKey=XOAZFKXKUDLRTE-ZDUSSCGKSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive
Splash Key:splash10-01dl-7009600000-d322709717558bd09e25
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:C21H28FN3O4Si
Molecular Weight (Monoisotopic Mass):433.183 Da
Derivative Type:1 TMS
Notes
Predicted by CFMID-EI, Ionization energy 70 eV fully TMS-derivatized (structure: C[C@H]1COC2=C3C(=CC(F)=C2N2CCN(C)CC2)C(=O)C(C(=O)O[Si](C)(C)C)=CN31)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file746 Bytes
Generated list of m/z values for the spectrum (TXT)Download file746 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 ]